6-[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]-3,6-dimethyl-cyclohexa-2,4-diene-1-sulfonate

Systemtic Name: 6-[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]-3,6-dimethyl-cyclohexa-2,4-diene-1-sulfonate Openeye Name: 6-[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]-3,6-dimethyl-cyclohexa-2,4-diene-1-sulfonate CAS Name: 6-[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]-3,6-dimethyl-1-cyclohexa-2,4-dienesulfonate IUPAC Name: 6-[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]-3,6-dimethylcyclohexa-2,4-diene-1-sulfonate Traditional Name: 6-[2,4-bis[(2,5-dimethylphenyl)sulfonyl]phenyl]-3,6-dimethyl-cyclohexa-2,4-diene-1-sulfonate Formula: C30H31O7S3- MolecularWeight: 599.75794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32O7S3/c1-19-7-9-22(4)26(15-19)38(31,32)24-11-12-25(30(6)14-13-21(3)17-29(30)40(35,36)37)28(18-24)39(33,34)27-16-20(2)8-10-23(27)5/h7-18,29H,1-6H3,(H,35,36,37)/p-1