4-methyl-2-(2-oxidanylidenepropyl)benzenesulfonate; pyridin-1-ium

Systemtic Name: 4-methyl-2-(2-oxidanylidenepropyl)benzenesulfonate; pyridin-1-ium Openeye Name: 2-acetonyl-4-methyl-benzenesulfonate; pyridin-1-ium CAS Name: 4-methyl-2-(2-oxopropyl)benzenesulfonate; pyridin-1-ium IUPAC Name: 4-methyl-2-(2-oxopropyl)benzenesulfonate; pyridin-1-ium Traditional Name: 2-acetonyl-4-methyl-besylate; pyridin-1-ium Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O4S.C5H5N/c1-7-3-4-10(15(12,13)14)9(5-7)6-8(2)11;1-2-4-6-5-3-1/h3-5H,6H2,1-2H3,(H,12,13,14);1-5H