1-azanyl-4-[2-(methylamino)ethylamino]-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid

Systemtic Name: 1-azanyl-4-[2-(methylamino)ethylamino]-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid Openeye Name: 1-amino-4-[2-(methylamino)ethylamino]-9,10-dioxo-anthracene-2,6-disulfonic acid CAS Name: 1-amino-4-[2-(methylamino)ethylamino]-9,10-dioxoanthracene-2,6-disulfonic acid IUPAC Name: 1-amino-4-[2-(methylamino)ethylamino]-9,10-dioxoanthracene-2,6-disulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[2-(methylamino)ethylamino]anthracene-2,6-disulfonic acid Formula: C17H17N3O8S2 MolecularWeight: 455.46218

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Descriptors Computed from Structure

Canonical SMILES:

CNCCNC1=CC(=C(C2=C1C(=O)C3=C(C2=O)C=CC(=C3)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CNCCNC1=CC(=C(C2=C1C(=O)C3=C(C2=O)C=CC(=C3)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C17H17N3O8S2/c1-19-4-5-20-11-7-12(30(26,27)28)15(18)14-13(11)17(22)10-6-8(29(23,24)25)2-3-9(10)16(14)21/h2-3,6-7,19-20H,4-5,18H2,1H3,(H,23,24,25)(H,26,27,28)