(3Z)-3-(4-methylphenyl)sulfonylimino-4-oxidanylidene-2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]naphthalen-1-olate

Systemtic Name: (3Z)-3-(4-methylphenyl)sulfonylimino-4-oxidanylidene-2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]naphthalen-1-olate Openeye Name: (3Z)-4-oxo-2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]-3-(p-tolylsulfonylimino)naphthalen-1-olate CAS Name: (3Z)-3-(4-methylphenyl)sulfonylimino-4-oxo-2-[4-(3-phenylpropyl)-1-pyridin-1-iumyl]-1-naphthalenolate IUPAC Name: (3Z)-3-(4-methylphenyl)sulfonylimino-4-oxo-2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]naphthalen-1-olate Traditional Name: (3Z)-4-keto-2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]-3-tosylimino-naphthalen-1-olate Formula: C31H26N2O4S MolecularWeight: 522.61414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(C3=CC=CC=C3C2=O)[O-])[N+]4=CC=C(C=C4)CCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C(=C(C3=CC=CC=C3C2=O)[O-])[N+]4=CC=C(C=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C31H26N2O4S/c1-22-14-16-25(17-15-22)38(36,37)32-28-29(31(35)27-13-6-5-12-26(27)30(28)34)33-20-18-24(19-21-33)11-7-10-23-8-3-2-4-9-23/h2-6,8-9,12-21H,7,10-11H2,1H3