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

Systemtic Name: 4-[[4-(aminomethyl)phenyl]amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[4-(aminomethyl)anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[4-(aminomethyl)anilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[4-(aminomethyl)anilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[4-(aminomethyl)anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C21H17N3O5S MolecularWeight: 423.44178

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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)CN)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)CN)S(=O)(=O)O)N

InChI

InChI=1S/C21H17N3O5S/c22-10-11-5-7-12(8-6-11)24-15-9-16(30(27,28)29)19(23)18-17(15)20(25)13-3-1-2-4-14(13)21(18)26/h1-9,24H,10,22-23H2,(H,27,28,29)