1-azanyl-9,10-bis(oxidanylidene)-4-[[4-(pyridin-3-ylamino)-3-sulfo-phenyl]amino]anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[[4-(pyridin-3-ylamino)-3-sulfo-phenyl]amino]anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-[4-(3-pyridylamino)-3-sulfo-anilino]anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-[4-(3-pyridinylamino)-3-sulfoanilino]-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-[4-(pyridin-3-ylamino)-3-sulfoanilino]anthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[4-(3-pyridylamino)-3-sulfo-anilino]anthracene-2-sulfonic acid Formula: C25H18N4O8S2 MolecularWeight: 566.56242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=CN=CC=C5)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=CN=CC=C5)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C25H18N4O8S2/c26-23-20(39(35,36)37)11-18(21-22(23)25(31)16-6-2-1-5-15(16)24(21)30)28-13-7-8-17(19(10-13)38(32,33)34)29-14-4-3-9-27-12-14/h1-12,28-29H,26H2,(H,32,33,34)(H,35,36,37)