2-[[3-(diethylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]-5-sulfonato-benzoate

Systemtic Name: 2-[[3-(diethylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]-5-sulfonato-benzoate Openeye Name: 2-[[3-(diethylamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]methylamino]-5-sulfonato-benzoate CAS Name: 2-[[3-(diethylamino)-6-oxo-1-cyclohexa-2,4-dienylidene]methylamino]-5-sulfonatobenzoate IUPAC Name: 2-[[3-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methylamino]-5-sulfonatobenzoate Traditional Name: 2-[[3-(diethylamino)-6-keto-cyclohexa-2,4-dien-1-ylidene]methylamino]-5-sulfonato-benzoate Formula: C18H18N2O6S-2 MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=CNC2=C(C=C(C=C2)S(=O)(=O)[O-])C(=O)[O-])C(=O)C=C1

Isomeric SMILES

CCN(CC)C1=CC(=CNC2=C(C=C(C=C2)S(=O)(=O)[O-])C(=O)[O-])C(=O)C=C1

InChI

InChI=1S/C18H20N2O6S/c1-3-20(4-2)13-5-8-17(21)12(9-13)11-19-16-7-6-14(27(24,25)26)10-15(16)18(22)23/h5-11,19H,3-4H2,1-2H3,(H,22,23)(H,24,25,26)/p-2