1-azanyl-3-(4-methylphenyl)sulfonyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-3-(4-methylphenyl)sulfonyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-3-(p-tolylsulfonyl)anthracene-2-sulfonic acid CAS Name: 1-amino-3-(4-methylphenyl)sulfonyl-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-3-(4-methylphenyl)sulfonyl-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-3-tosyl-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)C2=C(C(=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H15NO7S2/c1-11-6-8-12(9-7-11)30(25,26)16-10-15-17(18(22)21(16)31(27,28)29)20(24)14-5-3-2-4-13(14)19(15)23/h2-10H,22H2,1H3,(H,27,28,29)