3-[3-(2-carboxyethyl)-4-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]phenyl]carbonylbenzoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-4-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]phenyl]carbonylbenzoic acid Openeye Name: 3-[4-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]-3-(2-carboxyethyl)benzoyl]benzoic acid CAS Name: 3-[[4-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-3-(2-carboxyethyl)phenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-3-(2-carboxyethyl)benzoyl]benzoic acid Traditional Name: 3-[4-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)propoxy]-3-(2-carboxyethyl)benzoyl]benzoic acid Formula: C30H30O9 MolecularWeight: 534.5538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C30H30O9/c1-3-19-16-24(18(2)31)25(32)17-27(19)39-13-5-12-38-26-10-8-22(14-20(26)9-11-28(33)34)29(35)21-6-4-7-23(15-21)30(36)37/h4,6-8,10,14-17,32H,3,5,9,11-13H2,1-2H3,(H,33,34)(H,36,37)