6-(diethylamino)-9-(2-methoxycarbonylphenyl)-3-oxidanylidene-xanthene-2-sulfonate

Systemtic Name: 6-(diethylamino)-9-(2-methoxycarbonylphenyl)-3-oxidanylidene-xanthene-2-sulfonate Openeye Name: 6-(diethylamino)-9-(2-methoxycarbonylphenyl)-3-oxo-xanthene-2-sulfonate CAS Name: 6-(diethylamino)-9-(2-methoxycarbonylphenyl)-3-oxo-2-xanthenesulfonate IUPAC Name: 6-(diethylamino)-9-(2-methoxycarbonylphenyl)-3-oxoxanthene-2-sulfonate Traditional Name: 9-(2-carbomethoxyphenyl)-6-(diethylamino)-3-keto-xanthene-2-sulfonate Formula: C25H22NO7S- MolecularWeight: 480.50968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO7S/c1-4-26(5-2)15-10-11-18-21(12-15)33-22-14-20(27)23(34(29,30)31)13-19(22)24(18)16-8-6-7-9-17(16)25(28)32-3/h6-14H,4-5H2,1-3H3,(H,29,30,31)/p-1