sodium 4-[(4-acetamidocyclohexyl)amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC(CC1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)NC1CCC(CC1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H23N3O6S.Na/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28;/h2-5,10,12-13,25H,6-9,23H2,1H3,(H,24,26)(H,29,30,31);/q;+1/p-1