3-[3-(2-carboxyethyl)-4-[6-(4-methoxyphenyl)hex-5-ynoxy]phenyl]carbonylbenzoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-4-[6-(4-methoxyphenyl)hex-5-ynoxy]phenyl]carbonylbenzoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4-[6-(4-methoxyphenyl)hex-5-ynoxy]benzoyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-[6-(4-methoxyphenyl)hex-5-ynoxy]phenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4-[6-(4-methoxyphenyl)hex-5-ynoxy]benzoyl]benzoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4-[6-(4-methoxyphenyl)hex-5-ynoxy]benzoyl]benzoic acid Formula: C30H28O7 MolecularWeight: 500.53912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CCCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C#CCCCCOC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C30H28O7/c1-36-26-14-10-21(11-15-26)7-4-2-3-5-18-37-27-16-12-24(19-22(27)13-17-28(31)32)29(33)23-8-6-9-25(20-23)30(34)35/h6,8-12,14-16,19-20H,2-3,5,13,17-18H2,1H3,(H,31,32)(H,34,35)