3-tert-butyl-9-(2-methylphenyl)sulfanyl-10-oxidanyl-11-oxaspiro[5.5]undec-9-en-8-one

Systemtic Name: 3-tert-butyl-9-(2-methylphenyl)sulfanyl-10-oxidanyl-11-oxaspiro[5.5]undec-9-en-8-one Openeye Name: 3-tert-butyl-10-hydroxy-9-(o-tolylsulfanyl)-11-oxaspiro[5.5]undec-9-en-8-one CAS Name: 3-tert-butyl-10-hydroxy-9-[(2-methylphenyl)thio]-11-oxaspiro[5.5]undec-9-en-8-one IUPAC Name: 3-tert-butyl-10-hydroxy-9-(2-methylphenyl)sulfanyl-11-oxaspiro[5.5]undec-9-en-8-one Traditional Name: 3-tert-butyl-10-hydroxy-9-(o-tolylthio)-11-oxaspiro[5.5]undec-9-en-8-one Formula: C21H28O3S MolecularWeight: 360.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(OC3(CCC(CC3)C(C)(C)C)CC2=O)O

Isomeric SMILES

CC1=CC=CC=C1SC2=C(OC3(CCC(CC3)C(C)(C)C)CC2=O)O

InChI

InChI=1S/C21H28O3S/c1-14-7-5-6-8-17(14)25-18-16(22)13-21(24-19(18)23)11-9-15(10-12-21)20(2,3)4/h5-8,15,23H,9-13H2,1-4H3