1-azanyl-4-(3-azanylpropylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-(3-azanylpropylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(3-aminopropylamino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(3-aminopropylamino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(3-aminopropylamino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-(3-aminopropylamino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NCCCN)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NCCCN)S(=O)(=O)O)N

InChI

InChI=1S/C17H17N3O5S/c18-6-3-7-20-11-8-12(26(23,24)25)15(19)14-13(11)16(21)9-4-1-2-5-10(9)17(14)22/h1-2,4-5,8,20H,3,6-7,18-19H2,(H,23,24,25)