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

Systemtic Name: 1-azanyl-4-[[3-(hydroxymethyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[3-(hydroxymethyl)anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[3-(hydroxymethyl)anilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[3-(hydroxymethyl)anilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-(3-methylolanilino)anthracene-2-sulfonic acid Formula: C21H16N2O6S MolecularWeight: 424.42654

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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)CO)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=CC(=C4)CO)S(=O)(=O)O)N

InChI

InChI=1S/C21H16N2O6S/c22-19-16(30(27,28)29)9-15(23-12-5-3-4-11(8-12)10-24)17-18(19)21(26)14-7-2-1-6-13(14)20(17)25/h1-9,23-24H,10,22H2,(H,27,28,29)