Benzeneacetic acid, α,α′-[(3,4-dihydro-3,4-dioxo-1,7-naphthalenediyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene)]bis[4-hydroxy-, (αE,α′E)-

CAS Registry Number®

90295-70-8

CAS Name

Benzeneacetic acid, α,α′-[(3,4-dihydro-3,4-dioxo-1,7-naphthalenediyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene)]bis[4-hydroxy-, (αE,α′E)-

Molecular Formula

C34H18O14

Molecular Mass

650.50

Cite this Page

Benzeneacetic acid, α,α′-[(3,4-dihydro-3,4-dioxo-1,7-naphthalenediyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene)]bis[4-hydroxy-, (αE,α′E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=90295-70-8 (retrieved 2024-12-23) (CAS RN: 90295-70-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H18O14/c35-16-6-1-13(2-7-16)23(31(41)42)29-27(39)22(33(45)47-29)15-5-10-18-19(11-15)20(12-21(37)26(18)38)25-28(40)30(48-34(25)46)24(32(43)44)14-3-8-17(36)9-4-14/h1-12,35-36,39-40H,(H,41,42)(H,43,44)/b29-23+,30-24+

InChIKey

InChIKey=DPDCZWLANAIGKX-HCTXVGCHSA-N

SMILES

O=C1C=2C(C(=CC1=O)C3=C(O)/C(=C(\C(O)=O)/C4=CC=C(O)C=C4)/OC3=O)=CC(=CC2)C5=C(O)/C(=C(\C(O)=O)/C6=CC=C(O)C=C6)/OC5=O

Canonical SMILES

O=C(O)C(C1=CC=C(O)C=C1)=C2OC(=O)C(=C2O)C=3C=CC=4C(=O)C(=O)C=C(C4C3)C=5C(=O)OC(C5O)=C(C(=O)O)C6=CC=C(O)C=C6

Other Names for this Substance

  • Benzeneacetic acid, α,α′-[(3,4-dihydro-3,4-dioxo-1,7-naphthalenediyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene)]bis[4-hydroxy-, (αE,α′E)-
  • Benzeneacetic acid, α,α′-[(3,4-dihydro-3,4-dioxo-1,7-naphthalenediyl)bis(3-hydroxy-5-oxo-4-furanyl-2(5H)-ylidene)]bis[4-hydroxy-, (E,E)-
  • Bisnorbadioquinone A

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.