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

Systemtic Name: 1-azanyl-4-(butylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(butylamino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(butylamino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-(butylamino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)S(=O)(=O)O

Isomeric SMILES

CCCCNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)S(=O)(=O)O

InChI

InChI=1S/C18H18N2O5S/c1-2-3-8-20-12-9-13(26(23,24)25)16(19)15-14(12)17(21)10-6-4-5-7-11(10)18(15)22/h4-7,9,20H,2-3,8,19H2,1H3,(H,23,24,25)