4-(4-aminophenyl)carbonyloxybenzoic acid; 4-(4-aminophenyl)carbonyloxy-2-octadecyl-benzoic acid

Systemtic Name: 4-(4-aminophenyl)carbonyloxybenzoic acid; 4-(4-aminophenyl)carbonyloxy-2-octadecyl-benzoic acid Openeye Name: 4-(4-aminobenzoyl)oxybenzoic acid; 4-(4-aminobenzoyl)oxy-2-octadecyl-benzoic acid CAS Name: 4-[(4-aminophenyl)-oxomethoxy]benzoic acid; 4-[(4-aminophenyl)-oxomethoxy]-2-octadecylbenzoic acid IUPAC Name: 4-(4-aminobenzoyl)oxybenzoic acid; 4-(4-aminobenzoyl)oxy-2-octadecylbenzoic acid Traditional Name: 4-(4-aminobenzoyl)oxybenzoic acid; 4-(4-aminobenzoyl)oxy-2-stearyl-benzoic acid Formula: C46H58N2O8 MolecularWeight: 766.96132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)N)C(=O)O.C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)N)C(=O)O.C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)C(=O)O)N

InChI

InChI=1S/C32H47NO4.C14H11NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-25-29(23-24-30(27)31(34)35)37-32(36)26-19-21-28(33)22-20-26;15-11-5-1-10(2-6-11)14(18)19-12-7-3-9(4-8-12)13(16)17/h19-25H,2-18,33H2,1H3,(H,34,35);1-8H,15H2,(H,16,17)