2-(3-carboxyphenyl)-4-(3,4-dipentoxyphenyl)-3-methoxy-benzoic acid

Systemtic Name: 2-(3-carboxyphenyl)-4-(3,4-dipentoxyphenyl)-3-methoxy-benzoic acid Openeye Name: 2-(3-carboxyphenyl)-4-(3,4-dipentoxyphenyl)-3-methoxy-benzoic acid CAS Name: 2-(3-carboxyphenyl)-4-(3,4-dipentoxyphenyl)-3-methoxybenzoic acid IUPAC Name: 2-(3-carboxyphenyl)-4-(3,4-dipentoxyphenyl)-3-methoxybenzoic acid Traditional Name: 2-(3-carboxyphenyl)-4-(3,4-diamoxyphenyl)-3-methoxy-benzoic acid Formula: C31H36O7 MolecularWeight: 520.61334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)C3=CC(=CC=C3)C(=O)O)OC)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)C3=CC(=CC=C3)C(=O)O)OC)OCCCCC

InChI

InChI=1S/C31H36O7/c1-4-6-8-17-37-26-16-13-21(20-27(26)38-18-9-7-5-2)24-14-15-25(31(34)35)28(29(24)36-3)22-11-10-12-23(19-22)30(32)33/h10-16,19-20H,4-9,17-18H2,1-3H3,(H,32,33)(H,34,35)