diphenyl 3-(3-methylbutanoylamino)-1-oxidanylidene-3-phenyl-propane-1,2-disulfonate

Systemtic Name: diphenyl 3-(3-methylbutanoylamino)-1-oxidanylidene-3-phenyl-propane-1,2-disulfonate Openeye Name: diphenyl 3-(3-methylbutanoylamino)-1-oxo-3-phenyl-propane-1,2-disulfonate CAS Name: 3-[(3-methyl-1-oxobutyl)amino]-1-oxo-3-phenylpropane-1,2-disulfonic acid diphenyl ester IUPAC Name: diphenyl 3-(3-methylbutanoylamino)-1-oxo-3-phenylpropane-1,2-disulfonate Traditional Name: 3-(isovalerylamino)-1-keto-3-phenyl-propane-1,2-disulfonic acid diphenyl ester Formula: C26H27NO8S2 MolecularWeight: 545.62448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(C1=CC=CC=C1)C(C(=O)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC(C1=CC=CC=C1)C(C(=O)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C26H27NO8S2/c1-19(2)18-23(28)27-24(20-12-6-3-7-13-20)25(36(30,31)34-21-14-8-4-9-15-21)26(29)37(32,33)35-22-16-10-5-11-17-22/h3-17,19,24-25H,18H2,1-2H3,(H,27,28)