[2-[(E)-2-anthracen-9-ylethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(E)-2-anthracen-9-ylethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate Openeye Name: [2-[(E)-2-(9-anthryl)vinyl]-4-methyl-6-oxo-1-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(E)-2-(9-anthracenyl)ethenyl]-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: [2-[(E)-2-anthracen-9-ylethenyl]-4-methyl-6-oxopyridin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(E)-2-(9-anthryl)vinyl]-6-keto-4-methyl-1-pyridyl] ester Formula: C29H23NO4S MolecularWeight: 481.56222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=CC2=O)C)C=CC3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=CC2=O)C)/C=C/C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C29H23NO4S/c1-20-11-14-25(15-12-20)35(32,33)34-30-24(17-21(2)18-29(30)31)13-16-28-26-9-5-3-7-22(26)19-23-8-4-6-10-27(23)28/h3-19H,1-2H3/b16-13+