dipotassium 4-[(E)-2-[3-(2-methylpropoxycarbonyl)-4-oxidanyl-phenyl]ethenyl]benzenesulfonate

Systemtic Name: dipotassium 4-[(E)-2-[3-(2-methylpropoxycarbonyl)-4-oxidanyl-phenyl]ethenyl]benzenesulfonate Openeye Name: dipotassium 4-[(E)-2-(4-hydroxy-3-isobutoxycarbonyl-phenyl)vinyl]benzenesulfonate CAS Name: dipotassium 4-[(E)-2-[4-hydroxy-3-[2-methylpropoxy(oxo)methyl]phenyl]ethenyl]benzenesulfonate IUPAC Name: dipotassium 4-[(E)-2-[4-hydroxy-3-(2-methylpropoxycarbonyl)phenyl]ethenyl]benzenesulfonate Traditional Name: dipotassium 4-[(E)-2-(4-hydroxy-3-isobutoxycarbonyl-phenyl)vinyl]besylate Formula: C38H38K2O12S2 MolecularWeight: 829.02772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=C(C=CC(=C1)C=CC2=CC=C(C=C2)S(=O)(=O)[O-])O.CC(C)COC(=O)C1=C(C=CC(=C1)C=CC2=CC=C(C=C2)S(=O)(=O)[O-])O.[K+].[K+]

Isomeric SMILES

CC(COC(=O)C1=C(C=CC(=C1)/C=C/C2=CC=C(C=C2)S(=O)(=O)[O-])O)C.CC(COC(=O)C1=C(C=CC(=C1)/C=C/C2=CC=C(C=C2)S(=O)(=O)[O-])O)C.[K+].[K+]

InChI

InChI=1S/2C19H20O6S.2K/c2*1-13(2)12-25-19(21)17-11-15(7-10-18(17)20)4-3-14-5-8-16(9-6-14)26(22,23)24;;/h2*3-11,13,20H,12H2,1-2H3,(H,22,23,24);;/q;;2*+1/p-2/b2*4-3+;;