ethyl 4-[6,11-bis(oxidanyl)-5,12-bis(oxidanylidene)tetracen-2-yl]sulfanylbenzoate

Systemtic Name: ethyl 4-[6,11-bis(oxidanyl)-5,12-bis(oxidanylidene)tetracen-2-yl]sulfanylbenzoate Openeye Name: ethyl 4-(6,11-dihydroxy-5,12-dioxo-tetracen-2-yl)sulfanylbenzoate CAS Name: 4-[(6,11-dihydroxy-5,12-dioxo-2-tetracenyl)thio]benzoic acid ethyl ester IUPAC Name: ethyl 4-(6,11-dihydroxy-5,12-dioxotetracen-2-yl)sulfanylbenzoate Traditional Name: 4-[(6,11-dihydroxy-5,12-diketo-tetracen-2-yl)thio]benzoic acid ethyl ester Formula: C27H18O6S MolecularWeight: 470.49322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)SC2=CC3=C(C=C2)C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)SC2=CC3=C(C=C2)C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O

InChI

InChI=1S/C27H18O6S/c1-2-33-27(32)14-7-9-15(10-8-14)34-16-11-12-19-20(13-16)26(31)22-21(25(19)30)23(28)17-5-3-4-6-18(17)24(22)29/h3-13,28-29H,2H2,1H3