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

Systemtic Name: 4-[6-sulfanyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)hexoxy]benzoic acid Openeye Name: 4-[6-sulfanyl-2-(1,1,4,4-tetramethyltetralin-6-yl)hexoxy]benzoic acid CAS Name: 4-[6-mercapto-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)hexoxy]benzoic acid IUPAC Name: 4-[6-sulfanyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)hexoxy]benzoic acid Traditional Name: 4-[6-mercapto-2-(1,1,4,4-tetramethyltetralin-6-yl)hexoxy]benzoic acid Formula: C27H36O3S MolecularWeight: 440.63794

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C(CCCCS)COC3=CC=C(C=C3)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)C(CCCCS)COC3=CC=C(C=C3)C(=O)O)(C)C)C

InChI

InChI=1S/C27H36O3S/c1-26(2)14-15-27(3,4)24-17-20(10-13-23(24)26)21(7-5-6-16-31)18-30-22-11-8-19(9-12-22)25(28)29/h8-13,17,21,31H,5-7,14-16,18H2,1-4H3,(H,28,29)