4-methyl-1-oxidanyl-9,10-bis(oxidanylidene)-8-(sulfonatomethylamino)anthracene-2,6-disulfonate

Systemtic Name: 4-methyl-1-oxidanyl-9,10-bis(oxidanylidene)-8-(sulfonatomethylamino)anthracene-2,6-disulfonate Openeye Name: 1-hydroxy-4-methyl-9,10-dioxo-8-(sulfonatomethylamino)anthracene-2,6-disulfonate CAS Name: 1-hydroxy-4-methyl-9,10-dioxo-8-(sulfonatomethylamino)anthracene-2,6-disulfonate IUPAC Name: 1-hydroxy-4-methyl-9,10-dioxo-8-(sulfonatomethylamino)anthracene-2,6-disulfonate Traditional Name: 1-hydroxy-9,10-diketo-4-methyl-8-(sulfonatomethylamino)anthracene-2,6-disulfonate Formula: C16H10NO12S3-3 MolecularWeight: 504.4451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C3=CC(=CC(=C3C2=O)NCS(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)C3=CC(=CC(=C3C2=O)NCS(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-]

InChI

InChI=1S/C16H13NO12S3/c1-6-2-10(32(27,28)29)15(19)13-11(6)14(18)8-3-7(31(24,25)26)4-9(12(8)16(13)20)17-5-30(21,22)23/h2-4,17,19H,5H2,1H3,(H,21,22,23)(H,24,25,26)(H,27,28,29)/p-3