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

Systemtic Name: (3Z)-4-oxidanylidene-2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]-3-thiophen-2-ylsulfonylimino-naphthalen-1-olate Openeye Name: (3Z)-4-oxo-2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]-3-(2-thienylsulfonylimino)naphthalen-1-olate CAS Name: (3Z)-4-oxo-2-[4-(3-phenylpropyl)-1-pyridin-1-iumyl]-3-thiophen-2-ylsulfonylimino-1-naphthalenolate IUPAC Name: (3Z)-4-oxo-2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate Traditional Name: (3Z)-4-keto-2-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]-3-(2-thienylsulfonylimino)naphthalen-1-olate Formula: C28H22N2O4S2 MolecularWeight: 514.61528

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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=CS5)[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=CS5)[O-]

InChI

InChI=1S/C28H22N2O4S2/c31-27-22-12-4-5-13-23(22)28(32)26(25(27)29-36(33,34)24-14-7-19-35-24)30-17-15-21(16-18-30)11-6-10-20-8-2-1-3-9-20/h1-5,7-9,12-19H,6,10-11H2