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

Systemtic Name: [2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl] ester IUPAC Name: [2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl] ester Formula: C30H30O7S3 MolecularWeight: 598.75

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H30O7S3/c1-19-7-10-22(4)27(15-19)38(31,32)25-13-14-26(37-40(35,36)29-17-21(3)9-12-24(29)6)30(18-25)39(33,34)28-16-20(2)8-11-23(28)5/h7-18H,1-6H3