2-[3-(dimethylamino)-6-oxidanylidene-xanthen-9-yl]benzoic acid sulfate

Systemtic Name: 2-[3-(dimethylamino)-6-oxidanylidene-xanthen-9-yl]benzoic acid sulfate Openeye Name: 2-[3-(dimethylamino)-6-oxo-xanthen-9-yl]benzoic acid sulfate CAS Name: 2-[3-(dimethylamino)-6-oxo-9-xanthenyl]benzoic acid sulfate IUPAC Name: 2-[3-(dimethylamino)-6-oxoxanthen-9-yl]benzoic acid sulfate Traditional Name: 2-[3-(dimethylamino)-6-keto-xanthen-9-yl]benzoic acid sulfate Formula: C22H17NO8S-2 MolecularWeight: 455.43728

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=O)C=C3O2)C4=CC=CC=C4C(=O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=O)C=C3O2)C4=CC=CC=C4C(=O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C22H17NO4.H2O4S/c1-23(2)13-7-9-17-19(11-13)27-20-12-14(24)8-10-18(20)21(17)15-5-3-4-6-16(15)22(25)26;1-5(2,3)4/h3-12H,1-2H3,(H,25,26);(H2,1,2,3,4)/p-2