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
C34H18O14Molecular Mass
650.50Cite 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 ) (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