2-[[8-(2-carboxyphenyl)carbonylpyren-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[8-(2-carboxyphenyl)carbonylpyren-1-yl]methyl]benzoic acid Openeye Name: 2-[[8-(2-carboxybenzoyl)pyren-1-yl]methyl]benzoic acid CAS Name: 2-[[8-[(2-carboxyphenyl)-oxomethyl]-1-pyrenyl]methyl]benzoic acid IUPAC Name: 2-[[8-(2-carboxybenzoyl)pyren-1-yl]methyl]benzoic acid Traditional Name: 2-[[8-(2-carboxybenzoyl)pyren-1-yl]methyl]benzoic acid Formula: C32H20O5 MolecularWeight: 484.4982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=C3C=CC4=C(C=CC5=C4C3=C(C=C5)C=C2)C(=O)C6=CC=CC=C6C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CC2=C3C=CC4=C(C=CC5=C4C3=C(C=C5)C=C2)C(=O)C6=CC=CC=C6C(=O)O)C(=O)O

InChI

InChI=1S/C32H20O5/c33-30(25-7-3-4-8-27(25)32(36)37)26-14-13-19-10-9-18-11-12-21(22-15-16-24(26)29(19)28(18)22)17-20-5-1-2-6-23(20)31(34)35/h1-16H,17H2,(H,34,35)(H,36,37)