5-(butylamino)-9,10-bis(oxidanylidene)anthracene-1-sulfonate

Systemtic Name: 5-(butylamino)-9,10-bis(oxidanylidene)anthracene-1-sulfonate Openeye Name: 5-(butylamino)-9,10-dioxo-anthracene-1-sulfonate CAS Name: 5-(butylamino)-9,10-dioxo-1-anthracenesulfonate IUPAC Name: 5-(butylamino)-9,10-dioxoanthracene-1-sulfonate Traditional Name: 5-(butylamino)-9,10-diketo-anthracene-1-sulfonate Formula: C18H16NO5S- MolecularWeight: 358.38834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)[O-]

Isomeric SMILES

CCCCNC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C18H17NO5S/c1-2-3-10-19-13-8-4-6-11-15(13)17(20)12-7-5-9-14(25(22,23)24)16(12)18(11)21/h4-9,19H,2-3,10H2,1H3,(H,22,23,24)/p-1