1-azanyl-2-methyl-4-[(4-methyl-2-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)-2H-anthracene-1-sulfonic acid

Systemtic Name: 1-azanyl-2-methyl-4-[(4-methyl-2-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)-2H-anthracene-1-sulfonic acid Openeye Name: 1-amino-2-methyl-4-(4-methyl-2-sulfo-anilino)-9,10-dioxo-2H-anthracene-1-sulfonic acid CAS Name: 1-amino-2-methyl-4-(4-methyl-2-sulfoanilino)-9,10-dioxo-2H-anthracene-1-sulfonic acid IUPAC Name: 1-amino-2-methyl-4-(4-methyl-2-sulfoanilino)-9,10-dioxo-2H-anthracene-1-sulfonic acid Traditional Name: 1-amino-9,10-diketo-2-methyl-4-(4-methyl-2-sulfo-anilino)-2H-anthracene-1-sulfonic acid Formula: C22H20N2O8S2 MolecularWeight: 504.5328

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C2=C(C1(N)S(=O)(=O)O)C(=O)C3=CC=CC=C3C2=O)NC4=C(C=C(C=C4)C)S(=O)(=O)O

Isomeric SMILES

CC1C=C(C2=C(C1(N)S(=O)(=O)O)C(=O)C3=CC=CC=C3C2=O)NC4=C(C=C(C=C4)C)S(=O)(=O)O

InChI

InChI=1S/C22H20N2O8S2/c1-11-7-8-15(17(9-11)33(27,28)29)24-16-10-12(2)22(23,34(30,31)32)19-18(16)20(25)13-5-3-4-6-14(13)21(19)26/h3-10,12,24H,23H2,1-2H3,(H,27,28,29)(H,30,31,32)