[4-methyl-2-[(E)-2-naphthalen-2-ylethenyl]-6-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-methyl-2-[(E)-2-naphthalen-2-ylethenyl]-6-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate Openeye Name: [4-methyl-2-[(E)-2-(2-naphthyl)vinyl]-6-oxo-1-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-methyl-2-[(E)-2-(2-naphthalenyl)ethenyl]-6-oxo-1-pyridinyl] ester IUPAC Name: [4-methyl-2-[(E)-2-naphthalen-2-ylethenyl]-6-oxopyridin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-4-methyl-6-[(E)-2-(2-naphthyl)vinyl]-1-pyridyl] ester Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=CC2=O)C)C=CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=CC2=O)C)/C=C/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H21NO4S/c1-18-7-13-24(14-8-18)31(28,29)30-26-23(15-19(2)16-25(26)27)12-10-20-9-11-21-5-3-4-6-22(21)17-20/h3-17H,1-2H3/b12-10+