[2,3,5-trimethyl-4-oxidanyl-6-(7-oxidanyl-7-oxidanylidene-1-phenyl-heptyl)phenyl] sulfate

Systemtic Name: [2,3,5-trimethyl-4-oxidanyl-6-(7-oxidanyl-7-oxidanylidene-1-phenyl-heptyl)phenyl] sulfate Openeye Name: [4-hydroxy-2-(7-hydroxy-7-oxo-1-phenyl-heptyl)-3,5,6-trimethyl-phenyl] sulfate CAS Name: [4-hydroxy-2-(7-hydroxy-7-oxo-1-phenylheptyl)-3,5,6-trimethylphenyl] sulfate IUPAC Name: [4-hydroxy-2-(7-hydroxy-7-oxo-1-phenylheptyl)-3,5,6-trimethylphenyl] sulfate Traditional Name: [4-hydroxy-2-(7-hydroxy-7-keto-1-phenyl-heptyl)-3,5,6-trimethyl-phenyl] sulfate Formula: C22H27O7S- MolecularWeight: 435.51058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)OS(=O)(=O)[O-])C

Isomeric SMILES

CC1=C(C(=C(C(=C1O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)OS(=O)(=O)[O-])C

InChI

InChI=1S/C22H28O7S/c1-14-15(2)22(29-30(26,27)28)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18,25H,5,8-9,12-13H2,1-3H3,(H,23,24)(H,26,27,28)/p-1