1-azanyl-9,10-bis(oxidanylidene)-4-[(3-sulfinophenyl)amino]anthracene-2-sulfonic acid; yttrium

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[(3-sulfinophenyl)amino]anthracene-2-sulfonic acid; yttrium Openeye Name: 1-amino-9,10-dioxo-4-(3-sulfinoanilino)anthracene-2-sulfonic acid; yttrium CAS Name: 1-amino-9,10-dioxo-4-(3-sulfinoanilino)-2-anthracenesulfonic acid; yttrium IUPAC Name: 1-amino-9,10-dioxo-4-(3-sulfinoanilino)anthracene-2-sulfonic acid; yttrium Traditional Name: 1-amino-9,10-diketo-4-(3-sulfinoanilino)anthracene-2-sulfonic acid; yttrium Formula: C20H14N2O7S2Y MolecularWeight: 547.37021

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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(=CC=C4)S(=O)O)S(=O)(=O)O)N.[Y]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)O)S(=O)(=O)O)N.[Y]

InChI

InChI=1S/C20H14N2O7S2.Y/c21-18-15(31(27,28)29)9-14(22-10-4-3-5-11(8-10)30(25)26)16-17(18)20(24)13-7-2-1-6-12(13)19(16)23;/h1-9,22H,21H2,(H,25,26)(H,27,28,29);