(E)-2-[(3,4-dimethoxyphenyl)methyl]-4,8-dimethyl-8-oxidanyl-7-phenylsulfanyl-non-3-enenitrile

Systemtic Name: (E)-2-[(3,4-dimethoxyphenyl)methyl]-4,8-dimethyl-8-oxidanyl-7-phenylsulfanyl-non-3-enenitrile Openeye Name: (E)-2-[(3,4-dimethoxyphenyl)methyl]-8-hydroxy-4,8-dimethyl-7-phenylsulfanyl-non-3-enenitrile CAS Name: (E)-2-[(3,4-dimethoxyphenyl)methyl]-8-hydroxy-4,8-dimethyl-7-(phenylthio)-3-nonenenitrile IUPAC Name: (E)-2-[(3,4-dimethoxyphenyl)methyl]-8-hydroxy-4,8-dimethyl-7-phenylsulfanylnon-3-enenitrile Traditional Name: (E)-8-hydroxy-4,8-dimethyl-7-(phenylthio)-2-veratryl-non-3-enenitrile Formula: C26H33NO3S MolecularWeight: 439.61012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(CC1=CC(=C(C=C1)OC)OC)C#N)CCC(C(C)(C)O)SC2=CC=CC=C2

Isomeric SMILES

C/C(=C\C(CC1=CC(=C(C=C1)OC)OC)C#N)/CCC(C(C)(C)O)SC2=CC=CC=C2

InChI

InChI=1S/C26H33NO3S/c1-19(11-14-25(26(2,3)28)31-22-9-7-6-8-10-22)15-21(18-27)16-20-12-13-23(29-4)24(17-20)30-5/h6-10,12-13,15,17,21,25,28H,11,14,16H2,1-5H3/b19-15+