2-[1-(2-methylphenyl)-4-oxidanyl-4-oxidanylidene-butoxy]-4-(thiophen-3-ylmethoxy)benzoic acid

Systemtic Name: 2-[1-(2-methylphenyl)-4-oxidanyl-4-oxidanylidene-butoxy]-4-(thiophen-3-ylmethoxy)benzoic acid Openeye Name: 2-[4-hydroxy-1-(o-tolyl)-4-oxo-butoxy]-4-(3-thienylmethoxy)benzoic acid CAS Name: 2-[4-hydroxy-1-(2-methylphenyl)-4-oxobutoxy]-4-(3-thiophenylmethoxy)benzoic acid IUPAC Name: 2-[4-hydroxy-1-(2-methylphenyl)-4-oxobutoxy]-4-(thiophen-3-ylmethoxy)benzoic acid Traditional Name: 2-[4-hydroxy-4-keto-1-(o-tolyl)butoxy]-4-(3-thenyloxy)benzoic acid Formula: C23H22O6S MolecularWeight: 426.48218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=O)O

InChI

InChI=1S/C23H22O6S/c1-15-4-2-3-5-18(15)20(8-9-22(24)25)29-21-12-17(6-7-19(21)23(26)27)28-13-16-10-11-30-14-16/h2-7,10-12,14,20H,8-9,13H2,1H3,(H,24,25)(H,26,27)