4-[[2-(octadecanoylamino)-4-oxidanyl-cyclohexyl]diazenyl]cyclohexane-1-sulfonic acid

Systemtic Name: 4-[[2-(octadecanoylamino)-4-oxidanyl-cyclohexyl]diazenyl]cyclohexane-1-sulfonic acid Openeye Name: 4-[4-hydroxy-2-(octadecanoylamino)cyclohexyl]azocyclohexanesulfonic acid CAS Name: 4-[4-hydroxy-2-(1-oxooctadecylamino)cyclohexyl]azo-1-cyclohexanesulfonic acid IUPAC Name: 4-[[4-hydroxy-2-(octadecanoylamino)cyclohexyl]diazenyl]cyclohexane-1-sulfonic acid Traditional Name: 4-(4-hydroxy-2-stearamido-cyclohexyl)azocyclohexanesulfonic acid Formula: C30H57N3O5S MolecularWeight: 571.85568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1CC(CCC1N=NC2CCC(CC2)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1CC(CCC1N=NC2CCC(CC2)S(=O)(=O)O)O

InChI

InChI=1S/C30H57N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(35)31-29-24-26(34)20-23-28(29)33-32-25-18-21-27(22-19-25)39(36,37)38/h25-29,34H,2-24H2,1H3,(H,31,35)(H,36,37,38)