phenyl 4-tert-butyl-2-chloranyl-4-methyl-cyclohexa-2,5-diene-1-sulfonate

Systemtic Name: phenyl 4-tert-butyl-2-chloranyl-4-methyl-cyclohexa-2,5-diene-1-sulfonate Openeye Name: phenyl 4-tert-butyl-2-chloro-4-methyl-cyclohexa-2,5-diene-1-sulfonate CAS Name: 4-tert-butyl-2-chloro-4-methyl-1-cyclohexa-2,5-dienesulfonic acid phenyl ester IUPAC Name: phenyl 4-tert-butyl-2-chloro-4-methylcyclohexa-2,5-diene-1-sulfonate Traditional Name: 4-tert-butyl-2-chloro-4-methyl-cyclohexa-2,5-diene-1-sulfonic acid phenyl ester Formula: C17H21ClO3S MolecularWeight: 340.86484

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(C(=C1)Cl)S(=O)(=O)OC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CC1(C=CC(C(=C1)Cl)S(=O)(=O)OC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C17H21ClO3S/c1-16(2,3)17(4)11-10-15(14(18)12-17)22(19,20)21-13-8-6-5-7-9-13/h5-12,15H,1-4H3