2-[2,6,7,11-tetramethoxy-3,10-bis(oxidanyl)-4,9-bis(oxidanylidene)-12-[2-(phenylcarbonyloxy)ethyl]perylen-1-yl]ethyl benzoate

Systemtic Name: 2-[2,6,7,11-tetramethoxy-3,10-bis(oxidanyl)-4,9-bis(oxidanylidene)-12-[2-(phenylcarbonyloxy)ethyl]perylen-1-yl]ethyl benzoate Openeye Name: 2-[12-(2-benzoyloxyethyl)-3,10-dihydroxy-2,6,7,11-tetramethoxy-4,9-dioxo-perylen-1-yl]ethyl benzoate CAS Name: benzoic acid 2-[12-(2-benzoyloxyethyl)-3,10-dihydroxy-2,6,7,11-tetramethoxy-4,9-dioxo-1-perylenyl]ethyl ester IUPAC Name: 2-[12-(2-benzoyloxyethyl)-3,10-dihydroxy-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]ethyl benzoate Traditional Name: benzoic acid 2-[12-(2-benzoyloxyethyl)-3,10-dihydroxy-4,9-diketo-2,6,7,11-tetramethoxy-perylen-1-yl]ethyl ester Formula: C42H34O12 MolecularWeight: 730.71216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C2=C(C(=C(C3=C2C1=C4C(=CC(=O)C5=C(C(=C(C3=C45)CCOC(=O)C6=CC=CC=C6)OC)O)OC)CCOC(=O)C7=CC=CC=C7)OC)O

Isomeric SMILES

COC1=CC(=O)C2=C(C(=C(C3=C2C1=C4C(=CC(=O)C5=C(C(=C(C3=C45)CCOC(=O)C6=CC=CC=C6)OC)O)OC)CCOC(=O)C7=CC=CC=C7)OC)O

InChI

InChI=1S/C42H34O12/c1-49-27-19-25(43)31-35-29(23(39(51-3)37(31)45)15-17-53-41(47)21-11-7-5-8-12-21)30-24(16-18-54-42(48)22-13-9-6-10-14-22)40(52-4)38(46)32-26(44)20-28(50-2)34(33(27)35)36(30)32/h5-14,19-20,45-46H,15-18H2,1-4H3