5-azanyl-8-[(6-methylcyclohexa-2,4-dien-1-yl)amino]-9,10-bis(oxidanylidene)anthracene-1,6-disulfonic acid

Systemtic Name: 5-azanyl-8-[(6-methylcyclohexa-2,4-dien-1-yl)amino]-9,10-bis(oxidanylidene)anthracene-1,6-disulfonic acid Openeye Name: 5-amino-8-[(6-methylcyclohexa-2,4-dien-1-yl)amino]-9,10-dioxo-anthracene-1,6-disulfonic acid CAS Name: 5-amino-8-[(6-methyl-1-cyclohexa-2,4-dienyl)amino]-9,10-dioxoanthracene-1,6-disulfonic acid IUPAC Name: 5-amino-8-[(6-methylcyclohexa-2,4-dien-1-yl)amino]-9,10-dioxoanthracene-1,6-disulfonic acid Traditional Name: 5-amino-9,10-diketo-8-[(6-methylcyclohexa-2,4-dien-1-yl)amino]anthracene-1,6-disulfonic acid Formula: C21H18N2O8S2 MolecularWeight: 490.50622

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=CC1NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC=C4S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CC1C=CC=CC1NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC=C4S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C21H18N2O8S2/c1-10-5-2-3-7-12(10)23-13-9-15(33(29,30)31)19(22)18-17(13)21(25)16-11(20(18)24)6-4-8-14(16)32(26,27)28/h2-10,12,23H,22H2,1H3,(H,26,27,28)(H,29,30,31)