4-[(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalen-2-yl)sulfanyl]benzoate

Systemtic Name: 4-[(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalen-2-yl)sulfanyl]benzoate Openeye Name: 4-(1,1,4,4-tetramethyl-7-propyl-tetralin-6-yl)sulfanylbenzoate CAS Name: 4-[(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalen-2-yl)thio]benzoate IUPAC Name: 4-[(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalen-2-yl)sulfanyl]benzoate Traditional Name: 4-[(1,1,4,4-tetramethyl-7-propyl-tetralin-6-yl)thio]benzoate Formula: C24H29O2S- MolecularWeight: 381.55086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)SC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)SC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C24H30O2S/c1-6-7-17-14-19-20(24(4,5)13-12-23(19,2)3)15-21(17)27-18-10-8-16(9-11-18)22(25)26/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,25,26)/p-1