(1Z,6S,7Z)-2-diazonio-1-methoxy-7-methyl-3-oxidanylidene-9-phenylsulfanyl-6-prop-1-en-2-yl-nona-1,7-dien-1-olate

Systemtic Name: (1Z,6S,7Z)-2-diazonio-1-methoxy-7-methyl-3-oxidanylidene-9-phenylsulfanyl-6-prop-1-en-2-yl-nona-1,7-dien-1-olate Openeye Name: (1Z,6S,7Z)-2-diazonio-6-isopropenyl-1-methoxy-7-methyl-3-oxo-9-phenylsulfanyl-nona-1,7-dien-1-olate CAS Name: (1Z,6S,7Z)-2-diazonio-1-methoxy-7-methyl-6-(1-methylethenyl)-3-oxo-9-(phenylthio)-1-nona-1,7-dienolate IUPAC Name: (1Z,6S,7Z)-2-diazonio-1-methoxy-7-methyl-3-oxo-9-phenylsulfanyl-6-prop-1-en-2-ylnona-1,7-dien-1-olate Traditional Name: (1Z,6S,7Z)-2-diazonio-6-isopropenyl-3-keto-1-methoxy-7-methyl-9-(phenylthio)nona-1,7-dien-1-olate Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CCC(=O)C(=C([O-])OC)[N+]#N)C(=CCSC1=CC=CC=C1)C

Isomeric SMILES

CC(=C)[C@H](CCC(=O)/C(=C(\[O-])/OC)/[N+]#N)/C(=C\CSC1=CC=CC=C1)/C

InChI

InChI=1S/C20H24N2O3S/c1-14(2)17(10-11-18(23)19(22-21)20(24)25-4)15(3)12-13-26-16-8-6-5-7-9-16/h5-9,12,17H,1,10-11,13H2,2-4H3/b15-12-/t17-/m0/s1