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

Systemtic Name: 2,4-bis[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]benzenesulfonate Openeye Name: 2,4-bis[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]benzenesulfonate CAS Name: 2,4-bis[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]benzenesulfonate IUPAC Name: 2,4-bis[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]benzenesulfonate Traditional Name: 2,4-bis[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]besylate Formula: C50H45O11S5- MolecularWeight: 982.2107

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(=C(C=C3)S(=O)(=O)[O-])C4=C(C=C(C=C4)S(=O)(=O)C5=C(C=CC(=C5)C)C)S(=O)(=O)C6=C(C=CC(=C6)C)C)S(=O)(=O)C7=C(C=CC(=C7)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2=CC(=C(C=C2)C3=CC(=C(C=C3)S(=O)(=O)[O-])C4=C(C=C(C=C4)S(=O)(=O)C5=C(C=CC(=C5)C)C)S(=O)(=O)C6=C(C=CC(=C6)C)C)S(=O)(=O)C7=C(C=CC(=C7)C)C

InChI

InChI=1S/C50H46O11S5/c1-30-9-13-34(5)45(23-30)62(51,52)39-18-20-41(49(28-39)64(55,56)47-25-32(3)11-15-36(47)7)38-17-22-44(66(59,60)61)43(27-38)42-21-19-40(63(53,54)46-24-31(2)10-14-35(46)6)29-50(42)65(57,58)48-26-33(4)12-16-37(48)8/h9-29H,1-8H3,(H,59,60,61)/p-1