1-[12-[2-(4-hydroxyphenyl)carbonyloxypropyl]-2,6,7,11-tetramethoxy-3,10-bis(oxidanyl)-4,9-bis(oxidanylidene)perylen-1-yl]propan-2-yl 4-oxidanylbenzoate

Systemtic Name: 1-[12-[2-(4-hydroxyphenyl)carbonyloxypropyl]-2,6,7,11-tetramethoxy-3,10-bis(oxidanyl)-4,9-bis(oxidanylidene)perylen-1-yl]propan-2-yl 4-oxidanylbenzoate Openeye Name: [2-[3,10-dihydroxy-12-[2-(4-hydroxybenzoyl)oxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxo-perylen-1-yl]-1-methyl-ethyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid 1-[3,10-dihydroxy-12-[2-[(4-hydroxyphenyl)-oxomethoxy]propyl]-2,6,7,11-tetramethoxy-4,9-dioxo-1-perylenyl]propan-2-yl ester IUPAC Name: 1-[3,10-dihydroxy-12-[2-(4-hydroxybenzoyl)oxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [2-[3,10-dihydroxy-12-[2-(4-hydroxybenzoyl)oxypropyl]-4,9-diketo-2,6,7,11-tetramethoxy-perylen-1-yl]-1-methyl-ethyl] ester Formula: C44H38O14 MolecularWeight: 790.76412

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C(=C2C(=O)C=C(C3=C4C(=CC(=O)C5=C(C(=C(C(=C45)C1=C32)CC(C)OC(=O)C6=CC=C(C=C6)O)OC)O)OC)OC)O)OC)OC(=O)C7=CC=C(C=C7)O

Isomeric SMILES

CC(CC1=C(C(=C2C(=O)C=C(C3=C4C(=CC(=O)C5=C(C(=C(C(=C45)C1=C32)CC(C)OC(=O)C6=CC=C(C=C6)O)OC)O)OC)OC)O)OC)OC(=O)C7=CC=C(C=C7)O

InChI

InChI=1S/C44H38O14/c1-19(57-43(51)21-7-11-23(45)12-8-21)15-25-31-32-26(16-20(2)58-44(52)22-9-13-24(46)14-10-22)42(56-6)40(50)34-28(48)18-30(54-4)36(38(32)34)35-29(53-3)17-27(47)33(37(31)35)39(49)41(25)55-5/h7-14,17-20,45-46,49-50H,15-16H2,1-6H3