4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]benzoic acid

Systemtic Name: 4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]benzoic acid Openeye Name: 4-(1,1,4,4,7-pentamethyltetralin-6-yl)sulfanylbenzoic acid CAS Name: 4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)thio]benzoic acid IUPAC Name: 4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]benzoic acid Traditional Name: 4-[(1,1,4,4,7-pentamethyltetralin-6-yl)thio]benzoic acid Formula: C22H26O2S MolecularWeight: 354.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H26O2S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)25-16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)