4-[(E)-2-[5,5,8,8-tetramethyl-3-(2-piperidin-1-ylethylsulfanylmethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-[5,5,8,8-tetramethyl-3-(2-piperidin-1-ylethylsulfanylmethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid Openeye Name: 4-[(E)-2-[1,1,4,4-tetramethyl-7-[2-(1-piperidyl)ethylsulfanylmethyl]tetralin-6-yl]vinyl]benzoic acid CAS Name: 4-[(E)-2-[5,5,8,8-tetramethyl-3-[[2-(1-piperidinyl)ethylthio]methyl]-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-[5,5,8,8-tetramethyl-3-(2-piperidin-1-ylethylsulfanylmethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid Traditional Name: 4-[(E)-2-[1,1,4,4-tetramethyl-7-[(2-piperidinoethylthio)methyl]tetralin-6-yl]vinyl]benzoic acid Formula: C31H41NO2S MolecularWeight: 491.72774

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=C(C(=C2)C=CC3=CC=C(C=C3)C(=O)O)CSCCN4CCCCC4)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=C(C(=C2)/C=C/C3=CC=C(C=C3)C(=O)O)CSCCN4CCCCC4)(C)C)C

InChI

InChI=1S/C31H41NO2S/c1-30(2)14-15-31(3,4)28-21-26(22-35-19-18-32-16-6-5-7-17-32)25(20-27(28)30)13-10-23-8-11-24(12-9-23)29(33)34/h8-13,20-21H,5-7,14-19,22H2,1-4H3,(H,33,34)/b13-10+