3-(2-methylphenyl)-5,6,7,8-tetrahydrobenzo[f][1]benzothiole-2-carboxylic acid

Systemtic Name: 3-(2-methylphenyl)-5,6,7,8-tetrahydrobenzo[f][1]benzothiole-2-carboxylic acid Openeye Name: 3-(o-tolyl)-5,6,7,8-tetrahydrobenzo[f]benzothiophene-2-carboxylic acid CAS Name: 3-(2-methylphenyl)-5,6,7,8-tetrahydrobenzo[f][1]benzothiole-2-carboxylic acid IUPAC Name: 3-(2-methylphenyl)-5,6,7,8-tetrahydrobenzo[f][1]benzothiole-2-carboxylic acid Traditional Name: 3-(o-tolyl)-5,6,7,8-tetrahydrobenzo[f]benzothiophene-2-carboxylic acid Formula: C20H18O2S MolecularWeight: 322.42072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(SC3=CC4=C(CCCC4)C=C32)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(SC3=CC4=C(CCCC4)C=C32)C(=O)O

InChI

InChI=1S/C20H18O2S/c1-12-6-2-5-9-15(12)18-16-10-13-7-3-4-8-14(13)11-17(16)23-19(18)20(21)22/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,21,22)