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

Systemtic Name: sodium 1-azanyl-4-(cyclopentylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(cyclopentylamino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(cyclopentylamino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(cyclopentylamino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(cyclopentylamino)-9,10-diketo-anthracene-2-sulfonate Formula: C19H17N2NaO5S MolecularWeight: 408.40345

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CCC(C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H18N2O5S.Na/c20-17-14(27(24,25)26)9-13(21-10-5-1-2-6-10)15-16(17)19(23)12-8-4-3-7-11(12)18(15)22;/h3-4,7-10,21H,1-2,5-6,20H2,(H,24,25,26);/q;+1/p-1