2-methyl-2-methylsulfanyl-1-[(triphenylmethyl)amino]cyclohexane-1-carboxylic acid

Systemtic Name: 2-methyl-2-methylsulfanyl-1-[(triphenylmethyl)amino]cyclohexane-1-carboxylic acid Openeye Name: 2-methyl-2-methylsulfanyl-1-(tritylamino)cyclohexanecarboxylic acid CAS Name: 2-methyl-2-(methylthio)-1-[(triphenylmethyl)amino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-methyl-2-methylsulfanyl-1-(tritylamino)cyclohexane-1-carboxylic acid Traditional Name: 2-methyl-2-(methylthio)-1-(tritylamino)cyclohexanecarboxylic acid Formula: C28H31NO2S MolecularWeight: 445.61624

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1(C(=O)O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC

Isomeric SMILES

CC1(CCCCC1(C(=O)O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC

InChI

InChI=1S/C28H31NO2S/c1-26(32-2)20-12-13-21-27(26,25(30)31)29-28(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,29H,12-13,20-21H2,1-2H3,(H,30,31)