2-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methylamino]ethanesulfonic acid

Systemtic Name: 2-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methylamino]ethanesulfonic acid Openeye Name: 2-[(5-allyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]ethanesulfonic acid CAS Name: 2-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methylamino]ethanesulfonic acid IUPAC Name: 2-[(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methylamino]ethanesulfonic acid Traditional Name: 2-[(5-allyl-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]ethanesulfonic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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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=CC(=CNCCS(=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)