6-azanyl-2-(3-methylphenyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5,8-disulfonic acid

Systemtic Name: 6-azanyl-2-(3-methylphenyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5,8-disulfonic acid Openeye Name: 6-amino-2-(m-tolyl)-1,3-dioxo-benzo[de]isoquinoline-5,8-disulfonic acid CAS Name: 6-amino-2-(3-methylphenyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonic acid IUPAC Name: 6-amino-2-(3-methylphenyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonic acid Traditional Name: 6-amino-1,3-diketo-2-(m-tolyl)benzo[de]isoquinoline-5,8-disulfonic acid Formula: C19H14N2O8S2 MolecularWeight: 462.45306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC(=C(C4=CC(=CC(=C43)C2=O)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC(=C(C4=CC(=CC(=C43)C2=O)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C19H14N2O8S2/c1-9-3-2-4-10(5-9)21-18(22)13-7-11(30(24,25)26)6-12-16(13)14(19(21)23)8-15(17(12)20)31(27,28)29/h2-8H,20H2,1H3,(H,24,25,26)(H,27,28,29)