(E,2S,5S,6R)-3,5-dimethyl-6-(methylsulfanylmethoxy)-1-phenylmethoxy-hept-3-en-2-ol

Systemtic Name: (E,2S,5S,6R)-3,5-dimethyl-6-(methylsulfanylmethoxy)-1-phenylmethoxy-hept-3-en-2-ol Openeye Name: (E,2S,5S,6R)-1-benzyloxy-3,5-dimethyl-6-(methylsulfanylmethoxy)hept-3-en-2-ol CAS Name: (E,2S,5S,6R)-3,5-dimethyl-6-[(methylthio)methoxy]-1-phenylmethoxy-3-hepten-2-ol IUPAC Name: (E,2S,5S,6R)-3,5-dimethyl-6-(methylsulfanylmethoxy)-1-phenylmethoxyhept-3-en-2-ol Traditional Name: (E,2S,5S,6R)-1-benzoxy-3,5-dimethyl-6-[(methylthio)methoxy]hept-3-en-2-ol Formula: C18H28O3S MolecularWeight: 324.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C)C(COCC1=CC=CC=C1)O)C(C)OCSC

Isomeric SMILES

C[C@@H](/C=C(\C)/[C@@H](COCC1=CC=CC=C1)O)[C@@H](C)OCSC

InChI

InChI=1S/C18H28O3S/c1-14(16(3)21-13-22-4)10-15(2)18(19)12-20-11-17-8-6-5-7-9-17/h5-10,14,16,18-19H,11-13H2,1-4H3/b15-10+/t14-,16+,18+/m0/s1