4,7,10,13-Tetraoxa-16-azaheptadecanoic acid, 17-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-17-thioxo-

CAS Registry Number®

1807518-76-8
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CAS Name

4,7,10,13-Tetraoxa-16-azaheptadecanoic acid, 17-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-17-thioxo-

Molecular Formula

C32H34N2O11S

Molecular Mass

654.68

Cite this Page

4,7,10,13-Tetraoxa-16-azaheptadecanoic acid, 17-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-17-thioxo-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1807518-76-8 (retrieved 2024-07-07) (CAS RN: 1807518-76-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H34N2O11S/c35-21-2-5-25-27(18-21)44-28-19-22(36)3-6-26(28)32(25)24-4-1-20(17-23(24)30(39)45-32)34-31(46)33-8-10-41-12-14-43-16-15-42-13-11-40-9-7-29(37)38/h1-6,17-19,35-36H,7-16H2,(H,37,38)(H2,33,34,46)

InChIKey

InChIKey=DSZDFOCKVIPCKO-UHFFFAOYSA-N

SMILES

O=C1OC2(C=3C1=CC(NC(NCCOCCOCCOCCOCCC(O)=O)=S)=CC3)C=4C(OC=5C2=CC=C(O)C5)=CC(O)=CC4

Canonical SMILES

O=C(O)CCOCCOCCOCCOCCNC(=S)NC1=CC=C2C(=C1)C(=O)OC32C4=CC=C(O)C=C4OC5=CC(O)=CC=C53

Other Names for this Substance

  • 4,7,10,13-Tetraoxa-16-azaheptadecanoic acid, 17-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-17-thioxo-