4,8-bis(azanyl)-7-(4-hydroxyphenyl)-1,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 4,8-bis(azanyl)-7-(4-hydroxyphenyl)-1,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 4,8-diamino-1,5-dihydroxy-7-(4-hydroxyphenyl)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 4,8-diamino-1,5-dihydroxy-7-(4-hydroxyphenyl)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 4,8-diamino-1,5-dihydroxy-7-(4-hydroxyphenyl)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 4,8-diamino-1,5-dihydroxy-7-(4-hydroxyphenyl)-9,10-diketo-anthracene-2-sulfonic acid Formula: C20H14N2O8S MolecularWeight: 442.39876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=C3C(=C2N)C(=O)C4=C(C3=O)C(=CC(=C4O)S(=O)(=O)O)N)O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=C3C(=C2N)C(=O)C4=C(C3=O)C(=CC(=C4O)S(=O)(=O)O)N)O)O

InChI

InChI=1S/C20H14N2O8S/c21-10-6-12(31(28,29)30)18(25)16-13(10)19(26)14-11(24)5-9(17(22)15(14)20(16)27)7-1-3-8(23)4-2-7/h1-6,23-25H,21-22H2,(H,28,29,30)