4-[(E)-2-(4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-yl)prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-(4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(4,4-dimethyl-6,7-dihydro-5H-benzothiophen-2-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-2-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(4,4-dimethyl-6,7-dihydro-5H-benzothiophen-2-yl)prop-1-enyl]benzoic acid Formula: C20H22O2S MolecularWeight: 326.45248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(S2)CCCC3(C)C

Isomeric SMILES

C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(S2)CCCC3(C)C

InChI

InChI=1S/C20H22O2S/c1-13(11-14-6-8-15(9-7-14)19(21)22)18-12-16-17(23-18)5-4-10-20(16,2)3/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)/b13-11+