sodium 5-acetamido-1-azanyl-4-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 5-acetamido-1-azanyl-4-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 5-acetamido-1-amino-4-(cyclohexylamino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 5-acetamido-1-amino-4-(cyclohexylamino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 5-acetamido-1-amino-4-(cyclohexylamino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 5-acetamido-1-amino-4-(cyclohexylamino)-9,10-diketo-anthracene-2-sulfonate Formula: C22H22N3NaO6S MolecularWeight: 479.48135

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C(C=C3NC4CCCCC4)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

CC(=O)NC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C(C=C3NC4CCCCC4)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C22H23N3O6S.Na/c1-11(26)24-14-9-5-8-13-17(14)22(28)18-15(25-12-6-3-2-4-7-12)10-16(32(29,30)31)20(23)19(18)21(13)27;/h5,8-10,12,25H,2-4,6-7,23H2,1H3,(H,24,26)(H,29,30,31);/q;+1/p-1