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

Systemtic Name: (3Z)-3-(4-bromophenyl)sulfonylimino-4-oxidanylidene-2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]naphthalen-1-olate Openeye Name: (3Z)-3-(4-bromophenyl)sulfonylimino-4-oxo-2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]naphthalen-1-olate CAS Name: (3Z)-3-(4-bromophenyl)sulfonylimino-4-oxo-2-[4-(3-phenylpropyl)-1-pyridin-1-iumyl]-1-naphthalenolate IUPAC Name: (3Z)-3-(4-bromophenyl)sulfonylimino-4-oxo-2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]naphthalen-1-olate Traditional Name: (3Z)-3-brosylimino-4-keto-2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]naphthalen-1-olate Formula: C30H23BrN2O4S MolecularWeight: 587.48362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=C(C=C5)Br)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)C\3=C(C4=CC=CC=C4C(=O)/C3=N\S(=O)(=O)C5=CC=C(C=C5)Br)[O-]

InChI

InChI=1S/C30H23BrN2O4S/c31-23-13-15-24(16-14-23)38(36,37)32-27-28(30(35)26-12-5-4-11-25(26)29(27)34)33-19-17-22(18-20-33)10-6-9-21-7-2-1-3-8-21/h1-5,7-8,11-20H,6,9-10H2