[2,2-bis[(3,4-dimethoxyphenyl)carbonyloxymethyl]-3-octadecanoyloxy-propyl] 3,4-dimethoxybenzoate

Systemtic Name: [2,2-bis[(3,4-dimethoxyphenyl)carbonyloxymethyl]-3-octadecanoyloxy-propyl] 3,4-dimethoxybenzoate Openeye Name: [2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]-3-octadecanoyloxy-propyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2,2-bis[[(3,4-dimethoxyphenyl)-oxomethoxy]methyl]-3-(1-oxooctadecoxy)propyl] ester IUPAC Name: [2,2-bis[(3,4-dimethoxybenzoyl)oxymethyl]-3-octadecanoyloxypropyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-(stearoyloxymethyl)-3-veratroyloxy-2-(veratroyloxymethyl)propyl] ester Formula: C50H70O14 MolecularWeight: 895.0824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C1=CC(=C(C=C1)OC)OC)(COC(=O)C2=CC(=C(C=C2)OC)OC)COC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C1=CC(=C(C=C1)OC)OC)(COC(=O)C2=CC(=C(C=C2)OC)OC)COC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C50H70O14/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-46(51)61-33-50(34-62-47(52)37-24-27-40(55-2)43(30-37)58-5,35-63-48(53)38-25-28-41(56-3)44(31-38)59-6)36-64-49(54)39-26-29-42(57-4)45(32-39)60-7/h24-32H,8-23,33-36H2,1-7H3