[2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] butane-1-sulfonate

Systemtic Name: [2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] butane-1-sulfonate Openeye Name: [2-[(E)-2-(3,4-dichlorophenyl)vinyl]-4-methyl-6-oxo-1-pyridyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4-methyl-6-oxopyridin-1-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [2-[(E)-2-(3,4-dichlorophenyl)vinyl]-6-keto-4-methyl-1-pyridyl] ester Formula: C18H19Cl2NO4S MolecularWeight: 416.31876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)ON1C(=CC(=CC1=O)C)C=CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCS(=O)(=O)ON1C(=CC(=CC1=O)C)/C=C/C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H19Cl2NO4S/c1-3-4-9-26(23,24)25-21-15(10-13(2)11-18(21)22)7-5-14-6-8-16(19)17(20)12-14/h5-8,10-12H,3-4,9H2,1-2H3/b7-5+