2-[2-(2-methylphenyl)ethyl]-3-oxidanylidene-2-[3-(thiophen-3-ylmethoxy)phenoxy]hexanedioic acid

Systemtic Name: 2-[2-(2-methylphenyl)ethyl]-3-oxidanylidene-2-[3-(thiophen-3-ylmethoxy)phenoxy]hexanedioic acid Openeye Name: 2-[2-(o-tolyl)ethyl]-3-oxo-2-[3-(3-thienylmethoxy)phenoxy]hexanedioic acid CAS Name: 2-[2-(2-methylphenyl)ethyl]-3-oxo-2-[3-(3-thiophenylmethoxy)phenoxy]hexanedioic acid IUPAC Name: 2-[2-(2-methylphenyl)ethyl]-3-oxo-2-[3-(thiophen-3-ylmethoxy)phenoxy]hexanedioic acid Traditional Name: 3-keto-2-[2-(o-tolyl)ethyl]-2-[3-(3-thenyloxy)phenoxy]adipic acid Formula: C26H26O7S MolecularWeight: 482.54544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=O)CCC(=O)O)(C(=O)O)OC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=O)CCC(=O)O)(C(=O)O)OC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C26H26O7S/c1-18-5-2-3-6-20(18)11-13-26(25(30)31,23(27)9-10-24(28)29)33-22-8-4-7-21(15-22)32-16-19-12-14-34-17-19/h2-8,12,14-15,17H,9-11,13,16H2,1H3,(H,28,29)(H,30,31)