[(E)-[3-[(2-hydroxyethylamino)methyl]-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]amino] benzenesulfonate

Systemtic Name: [(E)-[3-[(2-hydroxyethylamino)methyl]-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]amino] benzenesulfonate Openeye Name: [(E)-[3-[(2-hydroxyethylamino)methyl]-4-oxo-cyclohexa-2,5-dien-1-ylidene]amino] benzenesulfonate CAS Name: benzenesulfonic acid [(E)-[3-[(2-hydroxyethylamino)methyl]-4-oxo-1-cyclohexa-2,5-dienylidene]amino] ester IUPAC Name: [(E)-[3-[(2-hydroxyethylamino)methyl]-4-oxocyclohexa-2,5-dien-1-ylidene]amino] benzenesulfonate Traditional Name: benzenesulfonic acid [(E)-[3-[(2-hydroxyethylamino)methyl]-4-keto-cyclohexa-2,5-dien-1-ylidene]amino] ester Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)ON=C2C=CC(=O)C(=C2)CNCCO

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O/N=C/2\C=CC(=O)C(=C2)CNCCO

InChI

InChI=1S/C15H16N2O5S/c18-9-8-16-11-12-10-13(6-7-15(12)19)17-22-23(20,21)14-4-2-1-3-5-14/h1-7,10,16,18H,8-9,11H2/b17-13+