sodium 1-azanyl-4-(3-azanylpropylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-(3-azanylpropylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(3-aminopropylamino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(3-aminopropylamino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(3-aminopropylamino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(3-aminopropylamino)-9,10-diketo-anthracene-2-sulfonate Formula: C17H16N3NaO5S MolecularWeight: 397.38081

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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.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NCCCN)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C17H17N3O5S.Na/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);/q;+1/p-1