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

Systemtic Name: 1-azanyl-4-butyl-9,10-bis(oxidanylidene)-3-sulfanyl-anthracene-2-sulfonic acid Openeye Name: 1-amino-4-butyl-9,10-dioxo-3-sulfanyl-anthracene-2-sulfonic acid CAS Name: 1-amino-4-butyl-3-mercapto-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-butyl-9,10-dioxo-3-sulfanylanthracene-2-sulfonic acid Traditional Name: 1-amino-4-butyl-9,10-diketo-3-mercapto-anthracene-2-sulfonic acid Formula: C18H17NO5S2 MolecularWeight: 391.46128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)S(=O)(=O)O)S

Isomeric SMILES

CCCCC1=C(C(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)S(=O)(=O)O)S

InChI

InChI=1S/C18H17NO5S2/c1-2-3-6-11-12-13(14(19)18(17(11)25)26(22,23)24)16(21)10-8-5-4-7-9(10)15(12)20/h4-5,7-8,25H,2-3,6,19H2,1H3,(H,22,23,24)