disodium 1-azanyl-4-(cyclohexylamino)-9,10-bis(oxidanylidene)-2H-anthracene-1,2-disulfonate

Systemtic Name: disodium 1-azanyl-4-(cyclohexylamino)-9,10-bis(oxidanylidene)-2H-anthracene-1,2-disulfonate Openeye Name: disodium 1-amino-4-(cyclohexylamino)-9,10-dioxo-2H-anthracene-1,2-disulfonate CAS Name: disodium 1-amino-4-(cyclohexylamino)-9,10-dioxo-2H-anthracene-1,2-disulfonate IUPAC Name: disodium 1-amino-4-(cyclohexylamino)-9,10-dioxo-2H-anthracene-1,2-disulfonate Traditional Name: disodium 1-amino-4-(cyclohexylamino)-9,10-diketo-2H-anthracene-1,2-disulfonate Formula: C20H20N2Na2O8S2 MolecularWeight: 526.49094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=CC(C(C3=C2C(=O)C4=CC=CC=C4C3=O)(N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CCC(CC1)NC2=CC(C(C3=C2C(=O)C4=CC=CC=C4C3=O)(N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H22N2O8S2.2Na/c21-20(32(28,29)30)15(31(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(20)19(24)13-9-5-4-8-12(13)18(16)23;;/h4-5,8-11,15,22H,1-3,6-7,21H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2