6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]naphthalene-1-carboxylic acid

Systemtic Name: 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]naphthalene-1-carboxylic acid Openeye Name: 6-(1,1,4,4,7-pentamethyltetralin-6-yl)sulfanylnaphthalene-1-carboxylic acid CAS Name: 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)thio]-1-naphthalenecarboxylic acid IUPAC Name: 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]naphthalene-1-carboxylic acid Traditional Name: 6-[(1,1,4,4,7-pentamethyltetralin-6-yl)thio]-1-naphthoic acid Formula: C26H28O2S MolecularWeight: 404.56432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)SC3=CC4=C(C=C3)C(=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)SC3=CC4=C(C=C3)C(=CC=C4)C(=O)O

InChI

InChI=1S/C26H28O2S/c1-16-13-21-22(26(4,5)12-11-25(21,2)3)15-23(16)29-18-9-10-19-17(14-18)7-6-8-20(19)24(27)28/h6-10,13-15H,11-12H2,1-5H3,(H,27,28)