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

Systemtic Name: 2-(3-carboxyphenyl)-3-[(3,4-dipentoxyphenyl)methoxy]benzoic acid Openeye Name: 2-(3-carboxyphenyl)-3-[(3,4-dipentoxyphenyl)methoxy]benzoic acid CAS Name: 2-(3-carboxyphenyl)-3-[(3,4-dipentoxyphenyl)methoxy]benzoic acid IUPAC Name: 2-(3-carboxyphenyl)-3-[(3,4-dipentoxyphenyl)methoxy]benzoic acid Traditional Name: 2-(3-carboxyphenyl)-3-(3,4-diamoxybenzyl)oxy-benzoic acid Formula: C31H36O7 MolecularWeight: 520.61334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)COC2=CC=CC(=C2C3=CC(=CC=C3)C(=O)O)C(=O)O)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)COC2=CC=CC(=C2C3=CC(=CC=C3)C(=O)O)C(=O)O)OCCCCC

InChI

InChI=1S/C31H36O7/c1-3-5-7-17-36-26-16-15-22(19-28(26)37-18-8-6-4-2)21-38-27-14-10-13-25(31(34)35)29(27)23-11-9-12-24(20-23)30(32)33/h9-16,19-20H,3-8,17-18,21H2,1-2H3,(H,32,33)(H,34,35)