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

Systemtic Name: [2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl] benzenesulfonate Openeye Name: [2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl] ester IUPAC Name: [2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl] ester Formula: C28H26O7S3 MolecularWeight: 570.69684

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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=CC=CC=C3)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=CC=CC=C3)S(=O)(=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C28H26O7S3/c1-19-10-12-21(3)26(16-19)36(29,30)24-14-15-25(35-38(33,34)23-8-6-5-7-9-23)28(18-24)37(31,32)27-17-20(2)11-13-22(27)4/h5-18H,1-4H3