O-[(2R,3S,4S,6S)-2,4,6-trimethyl-1-phenylmethoxy-non-8-en-3-yl] methylsulfanylmethanethioate

Systemtic Name: O-[(2R,3S,4S,6S)-2,4,6-trimethyl-1-phenylmethoxy-non-8-en-3-yl] methylsulfanylmethanethioate Openeye Name: O-[(1S,2S,4S)-1-[(1R)-2-benzyloxy-1-methyl-ethyl]-2,4-dimethyl-hept-6-enyl] methylsulfanylmethanethioate CAS Name: (methylthio)methanethioic acid O-[(2R,3S,4S,6S)-2,4,6-trimethyl-1-phenylmethoxynon-8-en-3-yl] ester IUPAC Name: O-[(2R,3S,4S,6S)-2,4,6-trimethyl-1-phenylmethoxynon-8-en-3-yl] methylsulfanylmethanethioate Traditional Name: (methylthio)methanethioic acid O-[(1S,2S,4S)-1-[(1R)-2-benzoxy-1-methyl-ethyl]-2,4-dimethyl-hept-6-enyl] ester Formula: C21H32O2S2 MolecularWeight: 380.60758

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=C)CC(C)C(C(C)COCC1=CC=CC=C1)OC(=S)SC

Isomeric SMILES

C[C@@H](CC=C)C[C@H](C)[C@@H]([C@H](C)COCC1=CC=CC=C1)OC(=S)SC

InChI

InChI=1S/C21H32O2S2/c1-6-10-16(2)13-17(3)20(23-21(24)25-5)18(4)14-22-15-19-11-8-7-9-12-19/h6-9,11-12,16-18,20H,1,10,13-15H2,2-5H3/t16-,17-,18+,20-/m0/s1