2-[[(E)-(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanesulfonate

Systemtic Name: 2-[[(E)-(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanesulfonate Openeye Name: 2-[[(E)-(5-allyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanesulfonate CAS Name: 2-[[(E)-(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]amino]ethanesulfonate IUPAC Name: 2-[[(E)-(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanesulfonate Traditional Name: 2-[[(E)-(5-allyl-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanesulfonate Formula: C12H14NO4S- MolecularWeight: 268.30886

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=CNCCS(=O)(=O)[O-])C1=O

Isomeric SMILES

C=CCC1=CC=C/C(=C\NCCS(=O)(=O)[O-])/C1=O

InChI

InChI=1S/C12H15NO4S/c1-2-4-10-5-3-6-11(12(10)14)9-13-7-8-18(15,16)17/h2-3,5-6,9,13H,1,4,7-8H2,(H,15,16,17)/p-1/b11-9+