3-[3-(2-carboxyethyl)-4-(6-phenylhexoxy)phenyl]sulfanylbenzoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-4-(6-phenylhexoxy)phenyl]sulfanylbenzoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4-(6-phenylhexoxy)phenyl]sulfanylbenzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-(6-phenylhexoxy)phenyl]thio]benzoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4-(6-phenylhexoxy)phenyl]sulfanylbenzoic acid Traditional Name: 3-[[3-(2-carboxyethyl)-4-(6-phenylhexoxy)phenyl]thio]benzoic acid Formula: C28H30O5S MolecularWeight: 478.5998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCOC2=C(C=C(C=C2)SC3=CC=CC(=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCOC2=C(C=C(C=C2)SC3=CC=CC(=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C28H30O5S/c29-27(30)17-14-22-19-25(34-24-13-8-12-23(20-24)28(31)32)15-16-26(22)33-18-7-2-1-4-9-21-10-5-3-6-11-21/h3,5-6,8,10-13,15-16,19-20H,1-2,4,7,9,14,17-18H2,(H,29,30)(H,31,32)