7-phenyl-7-(2,4,5-trimethyl-3-oxidanyl-6-sulfooxy-phenyl)heptanoic acid

Systemtic Name: 7-phenyl-7-(2,4,5-trimethyl-3-oxidanyl-6-sulfooxy-phenyl)heptanoic acid Openeye Name: 7-(3-hydroxy-2,4,5-trimethyl-6-sulfooxy-phenyl)-7-phenyl-heptanoic acid CAS Name: 7-(3-hydroxy-2,4,5-trimethyl-6-sulfooxyphenyl)-7-phenylheptanoic acid IUPAC Name: 7-(3-hydroxy-2,4,5-trimethyl-6-sulfooxyphenyl)-7-phenylheptanoic acid Traditional Name: 7-(3-hydroxy-2,4,5-trimethyl-6-sulfoxy-phenyl)-7-phenyl-enanthic acid Formula: C22H28O7S MolecularWeight: 436.51852

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)