4-[3-[2-[2,3-bis[(4-carboxylatophenyl)carbonyloxy]phenyl]propan-2-yl]-2-(4-carboxyphenyl)carbonyloxy-phenoxy]carbonylbenzoate

Systemtic Name: 4-[3-[2-[2,3-bis[(4-carboxylatophenyl)carbonyloxy]phenyl]propan-2-yl]-2-(4-carboxyphenyl)carbonyloxy-phenoxy]carbonylbenzoate Openeye Name: 4-[3-[1-[2,3-bis[(4-carboxylatobenzoyl)oxy]phenyl]-1-methyl-ethyl]-2-(4-carboxybenzoyl)oxy-phenoxy]carbonylbenzoate CAS Name: 4-[[3-[2-[2,3-bis[(4-carboxylatophenyl)-oxomethoxy]phenyl]propan-2-yl]-2-[(4-carboxyphenyl)-oxomethoxy]phenoxy]-oxomethyl]benzoate IUPAC Name: 4-[3-[2-[2,3-bis[(4-carboxylatobenzoyl)oxy]phenyl]propan-2-yl]-2-(4-carboxybenzoyl)oxyphenoxy]carbonylbenzoate Traditional Name: 4-[3-[1-[2,3-bis[(4-carboxylatobenzoyl)oxy]phenyl]-1-methyl-ethyl]-2-(4-carboxybenzoyl)oxy-phenoxy]carbonylbenzoate Formula: C47H29O16-3 MolecularWeight: 849.72356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C(=CC=C1)OC(=O)C2=CC=C(C=C2)C(=O)[O-])OC(=O)C3=CC=C(C=C3)C(=O)O)C4=C(C(=CC=C4)OC(=O)C5=CC=C(C=C5)C(=O)[O-])OC(=O)C6=CC=C(C=C6)C(=O)[O-]

Isomeric SMILES

CC(C)(C1=C(C(=CC=C1)OC(=O)C2=CC=C(C=C2)C(=O)[O-])OC(=O)C3=CC=C(C=C3)C(=O)O)C4=C(C(=CC=C4)OC(=O)C5=CC=C(C=C5)C(=O)[O-])OC(=O)C6=CC=C(C=C6)C(=O)[O-]

InChI

InChI=1S/C47H32O16/c1-47(2,33-5-3-7-35(60-43(56)29-17-9-25(10-18-29)39(48)49)37(33)62-45(58)31-21-13-27(14-22-31)41(52)53)34-6-4-8-36(61-44(57)30-19-11-26(12-20-30)40(50)51)38(34)63-46(59)32-23-15-28(16-24-32)42(54)55/h3-24H,1-2H3,(H,48,49)(H,50,51)(H,52,53)(H,54,55)/p-3