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

Systemtic Name: 4,8-bis(azanyl)-7-(4-methoxyphenyl)-1,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 4,8-diamino-1,5-dihydroxy-7-(4-methoxyphenyl)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 4,8-diamino-1,5-dihydroxy-7-(4-methoxyphenyl)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 4,8-diamino-1,5-dihydroxy-7-(4-methoxyphenyl)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 4,8-diamino-1,5-dihydroxy-9,10-diketo-7-(4-methoxyphenyl)anthracene-2-sulfonic acid Formula: C21H16N2O8S MolecularWeight: 456.42534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C3C(=C2N)C(=O)C4=C(C3=O)C(=CC(=C4O)S(=O)(=O)O)N)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C3C(=C2N)C(=O)C4=C(C3=O)C(=CC(=C4O)S(=O)(=O)O)N)O

InChI

InChI=1S/C21H16N2O8S/c1-31-9-4-2-8(3-5-9)10-6-12(24)15-16(18(10)23)21(27)17-14(20(15)26)11(22)7-13(19(17)25)32(28,29)30/h2-7,24-25H,22-23H2,1H3,(H,28,29,30)