5-bromanyl-8-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracene-1-sulfonic acid

Systemtic Name: 5-bromanyl-8-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracene-1-sulfonic acid Openeye Name: 5-bromo-8-(cyclohexylamino)-9,10-dioxo-anthracene-1-sulfonic acid CAS Name: 5-bromo-8-(cyclohexylamino)-9,10-dioxo-1-anthracenesulfonic acid IUPAC Name: 5-bromo-8-(cyclohexylamino)-9,10-dioxoanthracene-1-sulfonic acid Traditional Name: 5-bromo-8-(cyclohexylamino)-9,10-diketo-anthracene-1-sulfonic acid Formula: C20H18BrNO5S MolecularWeight: 464.32962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C3C(=C(C=C2)Br)C(=O)C4=C(C3=O)C(=CC=C4)S(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)NC2=C3C(=C(C=C2)Br)C(=O)C4=C(C3=O)C(=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C20H18BrNO5S/c21-13-9-10-14(22-11-5-2-1-3-6-11)18-17(13)19(23)12-7-4-8-15(28(25,26)27)16(12)20(18)24/h4,7-11,22H,1-3,5-6H2,(H,25,26,27)