4-[(4-methylphenyl)sulfonylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 4-[(4-methylphenyl)sulfonylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 9,10-dioxo-4-(p-tolylsulfonylamino)anthracene-2-sulfonic acid CAS Name: 4-[(4-methylphenyl)sulfonylamino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 4-[(4-methylphenyl)sulfonylamino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 9,10-diketo-4-(tosylamino)anthracene-2-sulfonic acid Formula: C21H15NO7S2 MolecularWeight: 457.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H15NO7S2/c1-12-6-8-13(9-7-12)30(25,26)22-18-11-14(31(27,28)29)10-17-19(18)21(24)16-5-3-2-4-15(16)20(17)23/h2-11,22H,1H3,(H,27,28,29)