(3Z)-2-(4-tert-butylpyridin-1-ium-1-yl)-4-oxidanylidene-3-(phenylsulfonylimino)naphthalen-1-olate

Systemtic Name: (3Z)-2-(4-tert-butylpyridin-1-ium-1-yl)-4-oxidanylidene-3-(phenylsulfonylimino)naphthalen-1-olate Openeye Name: (3Z)-3-(benzenesulfonylimino)-2-(4-tert-butylpyridin-1-ium-1-yl)-4-oxo-naphthalen-1-olate CAS Name: (3Z)-3-(benzenesulfonylimino)-2-(4-tert-butyl-1-pyridin-1-iumyl)-4-oxo-1-naphthalenolate IUPAC Name: (3Z)-3-(benzenesulfonylimino)-2-(4-tert-butylpyridin-1-ium-1-yl)-4-oxonaphthalen-1-olate Traditional Name: (3Z)-3-besylimino-2-(4-tert-butylpyridin-1-ium-1-yl)-4-keto-naphthalen-1-olate Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C\2=C(C3=CC=CC=C3C(=O)/C2=N\S(=O)(=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H22N2O4S/c1-25(2,3)17-13-15-27(16-14-17)22-21(26-32(30,31)18-9-5-4-6-10-18)23(28)19-11-7-8-12-20(19)24(22)29/h4-16H,1-3H3