2-[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]benzoic acid

Systemtic Name: 2-[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]benzoic acid Openeye Name: 2-[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]benzoic acid CAS Name: 2-[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]benzoic acid IUPAC Name: 2-[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]benzoic acid Traditional Name: 2-[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]benzoic acid Formula: C29H26O6S2 MolecularWeight: 534.64314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)O)S(=O)(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)O)S(=O)(=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C29H26O6S2/c1-18-9-11-20(3)26(15-18)36(32,33)22-13-14-24(23-7-5-6-8-25(23)29(30)31)28(17-22)37(34,35)27-16-19(2)10-12-21(27)4/h5-17H,1-4H3,(H,30,31)