[(2S,3R)-3-methyl-2-[(1S)-1-methylcyclohex-2-en-1-yl]-4-phenylmethoxy-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R)-3-methyl-2-[(1S)-1-methylcyclohex-2-en-1-yl]-4-phenylmethoxy-butyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3R)-4-benzyloxy-3-methyl-2-[(1S)-1-methylcyclohex-2-en-1-yl]butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-3-methyl-2-[(1S)-1-methyl-1-cyclohex-2-enyl]-4-phenylmethoxybutyl] ester IUPAC Name: [(2S,3R)-3-methyl-2-[(1S)-1-methylcyclohex-2-en-1-yl]-4-phenylmethoxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R)-4-benzoxy-3-methyl-2-[(1S)-1-methylcyclohex-2-en-1-yl]butyl] ester Formula: C26H34O4S MolecularWeight: 442.61076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C)COCC2=CC=CC=C2)C3(CCCC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]([C@@H](C)COCC2=CC=CC=C2)[C@]3(CCCC=C3)C

InChI

InChI=1S/C26H34O4S/c1-21-12-14-24(15-13-21)31(27,28)30-20-25(26(3)16-8-5-9-17-26)22(2)18-29-19-23-10-6-4-7-11-23/h4,6-8,10-16,22,25H,5,9,17-20H2,1-3H3/t22-,25-,26+/m0/s1