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

Systemtic Name: [(E)-1-(4-cyanophenyl)-3-(5-sulfothiophen-2-yl)prop-2-enylidene]oxidanium Openeye Name: [(E)-1-(4-cyanophenyl)-3-(5-sulfo-2-thienyl)prop-2-enylidene]oxonium CAS Name: [(E)-1-(4-cyanophenyl)-3-(5-sulfo-2-thiophenyl)prop-2-enylidene]oxonium IUPAC Name: [(E)-1-(4-cyanophenyl)-3-(5-sulfothiophen-2-yl)prop-2-enylidene]oxidanium Traditional Name: [(E)-1-(4-cyanophenyl)-3-(5-sulfo-2-thienyl)prop-2-enylidene]oxonium Formula: C14H10NO4S2+ MolecularWeight: 320.3635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9NO4S2/c15-9-10-1-3-11(4-2-10)13(16)7-5-12-6-8-14(20-12)21(17,18)19/h1-8H,(H,17,18,19)/p+1/b7-5+