[2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]phenyl] benzenesulfonate

Systemtic Name: [2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]phenyl] benzenesulfonate Openeye Name: [2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]phenyl] ester IUPAC Name: [2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]phenyl] ester Formula: C35H46O4S MolecularWeight: 562.80234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C(C)(C)C)C=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C(C)(C)C)C=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C35H46O4S/c1-32(2,3)26-19-23(20-27(30(26)36)33(4,5)6)18-24-21-28(34(7,8)9)31(29(22-24)35(10,11)12)39-40(37,38)25-16-14-13-15-17-25/h13-22H,1-12H3