1-azanyl-4-[(6-methyl-3-sulfo-cyclohexa-2,4-dien-1-yl)amino]-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid

Systemtic Name: 1-azanyl-4-[(6-methyl-3-sulfo-cyclohexa-2,4-dien-1-yl)amino]-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid Openeye Name: 1-amino-4-[(6-methyl-3-sulfo-cyclohexa-2,4-dien-1-yl)amino]-9,10-dioxo-anthracene-2,6-disulfonic acid CAS Name: 1-amino-4-[(6-methyl-3-sulfo-1-cyclohexa-2,4-dienyl)amino]-9,10-dioxoanthracene-2,6-disulfonic acid IUPAC Name: 1-amino-4-[(6-methyl-3-sulfocyclohexa-2,4-dien-1-yl)amino]-9,10-dioxoanthracene-2,6-disulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[(6-methyl-3-sulfo-cyclohexa-2,4-dien-1-yl)amino]anthracene-2,6-disulfonic acid Formula: C21H18N2O11S3 MolecularWeight: 570.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(=CC1NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1C=CC(=CC1NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H18N2O11S3/c1-9-2-3-11(36(29,30)31)7-14(9)23-15-8-16(37(32,33)34)19(22)18-17(15)21(25)13-6-10(35(26,27)28)4-5-12(13)20(18)24/h2-9,14,23H,22H2,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)