4-(6,6,9,9-tetramethyl-5a,7,8,9a-tetrahydrobenzo[g][1]benzothiol-2-yl)benzoic acid

Systemtic Name: 4-(6,6,9,9-tetramethyl-5a,7,8,9a-tetrahydrobenzo[g][1]benzothiol-2-yl)benzoic acid Openeye Name: 4-(6,6,9,9-tetramethyl-5a,7,8,9a-tetrahydrobenzo[g]benzothiophen-2-yl)benzoic acid CAS Name: 4-(6,6,9,9-tetramethyl-5a,7,8,9a-tetrahydrobenzo[g][1]benzothiol-2-yl)benzoic acid IUPAC Name: 4-(6,6,9,9-tetramethyl-5a,7,8,9a-tetrahydrobenzo[g][1]benzothiol-2-yl)benzoic acid Traditional Name: 4-(6,6,9,9-tetramethyl-5a,7,8,9a-tetrahydrobenzo[g]benzothiophen-2-yl)benzoic acid Formula: C23H26O2S MolecularWeight: 366.51634

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2C1C=CC3=C2SC(=C3)C4=CC=C(C=C4)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2C1C=CC3=C2SC(=C3)C4=CC=C(C=C4)C(=O)O)(C)C)C

InChI

InChI=1S/C23H26O2S/c1-22(2)11-12-23(3,4)19-17(22)10-9-16-13-18(26-20(16)19)14-5-7-15(8-6-14)21(24)25/h5-10,13,17,19H,11-12H2,1-4H3,(H,24,25)