disodium 1-azanyl-4-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracene-2,3-disulfonate

Systemtic Name: disodium 1-azanyl-4-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracene-2,3-disulfonate Openeye Name: disodium 1-amino-4-(cyclohexylamino)-9,10-dioxo-anthracene-2,3-disulfonate CAS Name: disodium 1-amino-4-(cyclohexylamino)-9,10-dioxoanthracene-2,3-disulfonate IUPAC Name: disodium 1-amino-4-(cyclohexylamino)-9,10-dioxoanthracene-2,3-disulfonate Traditional Name: disodium 1-amino-4-(cyclohexylamino)-9,10-diketo-anthracene-2,3-disulfonate Formula: C20H18N2Na2O8S2 MolecularWeight: 524.47506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H20N2O8S2.2Na/c21-15-13-14(18(24)12-9-5-4-8-11(12)17(13)23)16(22-10-6-2-1-3-7-10)20(32(28,29)30)19(15)31(25,26)27;;/h4-5,8-10,22H,1-3,6-7,21H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2