Xanthylium, 9-[4-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]-3-[2-[2-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]phenoxy]ethoxy]phenyl]-3,6-bis(dimethylamino)-, bromide (1:1)

CAS Registry Number®

129787-64-0
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CAS Name

Xanthylium, 9-[4-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]-3-[2-[2-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]phenoxy]ethoxy]phenyl]-3,6-bis(dimethylamino)-, bromide (1:1)

Molecular Formula

C51H57N4O19.Br

Cite this Page

Xanthylium, 9-[4-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]-3-[2-[2-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]phenoxy]ethoxy]phenyl]-3,6-bis(dimethylamino)-, bromide (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=129787-64-0 (retrieved 2024-08-18) (CAS RN: 129787-64-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C51H57N4O19.BrH/c1-32(56)66-28-70-47(60)24-54(25-48(61)71-29-67-33(2)57)41-11-9-10-12-43(41)64-19-20-65-46-21-36(13-18-42(46)55(26-49(62)72-30-68-34(3)58)27-50(63)73-31-69-35(4)59)51-39-16-14-37(52(5)6)22-44(39)74-45-23-38(53(7)8)15-17-40(45)51;/h9-18,21-23H,19-20,24-31H2,1-8H3;1H/q+1;/p-1

InChIKey

InChIKey=AUBOYHPXSKFYOA-UHFFFAOYSA-M

SMILES

O(CCOC1=C(N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)C=CC=C1)C=2C=C(C=3C4=C([O+]=C5C3C=CC(N(C)C)=C5)C=C(N(C)C)C=C4)C=CC2N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O.[Br-]

Canonical SMILES

[Br-].O=C(OCOC(=O)CN(C=1C=CC=CC1OCCOC=2C=C(C=CC2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)C=3C=4C=CC(=CC4[O+]=C5C=C(C=CC53)N(C)C)N(C)C)CC(=O)OCOC(=O)C)C

Other Names for this Substance

  • Xanthylium, 9-[4-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]-3-[2-[2-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]phenoxy]ethoxy]phenyl]-3,6-bis(dimethylamino)-, bromide (1:1)
  • Xanthylium, 9-[4-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]-3-[2-[2-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]phenoxy]ethoxy]phenyl]-3,6-bis(dimethylamino)-, bromide