4-[(E)-3-(8,8-dimethyl-5-thiophen-2-yl-7H-naphthalen-2-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-(8,8-dimethyl-5-thiophen-2-yl-7H-naphthalen-2-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[8,8-dimethyl-5-(2-thienyl)-7H-naphthalen-2-yl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(8,8-dimethyl-5-thiophen-2-yl-7H-naphthalen-2-yl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(8,8-dimethyl-5-thiophen-2-yl-7H-naphthalen-2-yl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[8,8-dimethyl-5-(2-thienyl)-7H-naphthalen-2-yl]-3-keto-prop-1-enyl]benzoic acid Formula: C26H22O3S MolecularWeight: 414.51608

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)O)C4=CC=CS4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)O)C4=CC=CS4)C

InChI

InChI=1S/C26H22O3S/c1-26(2)14-13-21(24-4-3-15-30-24)20-11-10-19(16-22(20)26)23(27)12-7-17-5-8-18(9-6-17)25(28)29/h3-13,15-16H,14H2,1-2H3,(H,28,29)/b12-7+