[(E)-1-(4-nitrophenyl)-3-(5-sulfothiophen-2-yl)prop-2-enylidene]oxidanium

Systemtic Name: [(E)-1-(4-nitrophenyl)-3-(5-sulfothiophen-2-yl)prop-2-enylidene]oxidanium Openeye Name: [(E)-1-(4-nitrophenyl)-3-(5-sulfo-2-thienyl)prop-2-enylidene]oxonium CAS Name: [(E)-1-(4-nitrophenyl)-3-(5-sulfo-2-thiophenyl)prop-2-enylidene]oxonium IUPAC Name: [(E)-1-(4-nitrophenyl)-3-(5-sulfothiophen-2-yl)prop-2-enylidene]oxidanium Traditional Name: [(E)-1-(4-nitrophenyl)-3-(5-sulfo-2-thienyl)prop-2-enylidene]oxonium Formula: C13H10NO6S2+ MolecularWeight: 340.3516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=[OH+])C=CC2=CC=C(S2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=[OH+])/C=C/C2=CC=C(S2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H9NO6S2/c15-12(9-1-3-10(4-2-9)14(16)17)7-5-11-6-8-13(21-11)22(18,19)20/h1-8H,(H,18,19,20)/p+1/b7-5+