(Z)-1-ethoxy-3-[3-methylhept-6-enoyl-[2-(4-methylphenyl)sulfonylethyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium

Systemtic Name: (Z)-1-ethoxy-3-[3-methylhept-6-enoyl-[2-(4-methylphenyl)sulfonylethyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (Z)-1-ethoxy-1-hydroxy-3-[3-methylhept-6-enoyl-[2-(p-tolylsulfonyl)ethyl]amino]-3-oxo-prop-1-ene-2-diazonium CAS Name: (Z)-1-ethoxy-1-hydroxy-3-[(3-methyl-1-oxohept-6-enyl)-[2-(4-methylphenyl)sulfonylethyl]amino]-3-oxo-1-propene-2-diazonium IUPAC Name: (Z)-1-ethoxy-1-hydroxy-3-[3-methylhept-6-enoyl-[2-(4-methylphenyl)sulfonylethyl]amino]-3-oxoprop-1-ene-2-diazonium Traditional Name: (Z)-1-ethoxy-1-hydroxy-3-keto-3-[3-methylhept-6-enoyl(2-tosylethyl)amino]prop-1-ene-2-diazonium Formula: C22H30N3O6S+ MolecularWeight: 464.5551

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)N(CCS(=O)(=O)C1=CC=C(C=C1)C)C(=O)CC(C)CCC=C)[N+]#N)O

Isomeric SMILES

CCO/C(=C(/C(=O)N(CCS(=O)(=O)C1=CC=C(C=C1)C)C(=O)CC(C)CCC=C)\[N+]#N)/O

InChI

InChI=1S/C22H29N3O6S/c1-5-7-8-17(4)15-19(26)25(21(27)20(24-23)22(28)31-6-2)13-14-32(29,30)18-11-9-16(3)10-12-18/h5,9-12,17H,1,6-8,13-15H2,2-4H3/p+1