3-[3-(2-carboxyethyl)-4-[6-(4-hydroxyphenyl)hexoxy]phenyl]carbonylbenzoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-4-[6-(4-hydroxyphenyl)hexoxy]phenyl]carbonylbenzoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4-[6-(4-hydroxyphenyl)hexoxy]benzoyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-[6-(4-hydroxyphenyl)hexoxy]phenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4-[6-(4-hydroxyphenyl)hexoxy]benzoyl]benzoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4-[6-(4-hydroxyphenyl)hexoxy]benzoyl]benzoic acid Formula: C29H30O7 MolecularWeight: 490.5443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)C2=CC(=C(C=C2)OCCCCCCC3=CC=C(C=C3)O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)C2=CC(=C(C=C2)OCCCCCCC3=CC=C(C=C3)O)CCC(=O)O

InChI

InChI=1S/C29H30O7/c30-25-13-9-20(10-14-25)6-3-1-2-4-17-36-26-15-11-23(18-21(26)12-16-27(31)32)28(33)22-7-5-8-24(19-22)29(34)35/h5,7-11,13-15,18-19,30H,1-4,6,12,16-17H2,(H,31,32)(H,34,35)