[4-methyl-2-[(1E,3E,5E)-2-methyl-6-phenyl-hexa-1,3,5-trienyl]-6-oxidanylidene-pyridin-1-yl] ethanesulfonate

Systemtic Name: [4-methyl-2-[(1E,3E,5E)-2-methyl-6-phenyl-hexa-1,3,5-trienyl]-6-oxidanylidene-pyridin-1-yl] ethanesulfonate Openeye Name: [4-methyl-2-[(1E,3E,5E)-2-methyl-6-phenyl-hexa-1,3,5-trienyl]-6-oxo-1-pyridyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-methyl-2-[(1E,3E,5E)-2-methyl-6-phenylhexa-1,3,5-trienyl]-6-oxo-1-pyridinyl] ester IUPAC Name: [4-methyl-2-[(1E,3E,5E)-2-methyl-6-phenylhexa-1,3,5-trienyl]-6-oxopyridin-1-yl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-keto-4-methyl-6-[(1E,3E,5E)-2-methyl-6-phenyl-hexa-1,3,5-trienyl]-1-pyridyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)ON1C(=CC(=CC1=O)C)C=C(C)C=CC=CC2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)ON1C(=CC(=CC1=O)C)/C=C(\C)/C=C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H23NO4S/c1-4-27(24,25)26-22-20(15-18(3)16-21(22)23)14-17(2)10-8-9-13-19-11-6-5-7-12-19/h5-16H,4H2,1-3H3/b10-8+,13-9+,17-14+