4-(6-diazo-4-methyl-cyclohexa-1,3-dien-1-yl)sulfonyl-3,3-dimethyl-butanoate

Systemtic Name: 4-(6-diazo-4-methyl-cyclohexa-1,3-dien-1-yl)sulfonyl-3,3-dimethyl-butanoate Openeye Name: 4-(6-diazo-4-methyl-cyclohexa-1,3-dien-1-yl)sulfonyl-3,3-dimethyl-butanoate CAS Name: 4-[(6-diazo-4-methyl-1-cyclohexa-1,3-dienyl)sulfonyl]-3,3-dimethylbutanoate IUPAC Name: 4-(6-diazo-4-methylcyclohexa-1,3-dien-1-yl)sulfonyl-3,3-dimethylbutanoate Traditional Name: 4-(6-diazo-4-methyl-cyclohexa-1,3-dien-1-yl)sulfonyl-3,3-dimethyl-butyrate Formula: C13H17N2O4S- MolecularWeight: 297.35008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=[N+]=[N-])C1)S(=O)(=O)CC(C)(C)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C(=[N+]=[N-])C1)S(=O)(=O)CC(C)(C)CC(=O)[O-]

InChI

InChI=1S/C13H18N2O4S/c1-9-4-5-11(10(6-9)15-14)20(18,19)8-13(2,3)7-12(16)17/h4-5H,6-8H2,1-3H3,(H,16,17)/p-1