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

Systemtic Name: 3-methyl-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]benzoic acid Openeye Name: 3-methyl-4-(1,1,4,4,7-pentamethyltetralin-6-yl)sulfanyl-benzoic acid CAS Name: 3-methyl-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)thio]benzoic acid IUPAC Name: 3-methyl-4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]benzoic acid Traditional Name: 3-methyl-4-[(1,1,4,4,7-pentamethyltetralin-6-yl)thio]benzoic acid Formula: C23H28O2S MolecularWeight: 368.53222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)SC2=C(C=C3C(=C2)C(CCC3(C)C)(C)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)SC2=C(C=C3C(=C2)C(CCC3(C)C)(C)C)C

InChI

InChI=1S/C23H28O2S/c1-14-11-16(21(24)25)7-8-19(14)26-20-13-18-17(12-15(20)2)22(3,4)9-10-23(18,5)6/h7-8,11-13H,9-10H2,1-6H3,(H,24,25)