(1R,5S)-9,9-dimethyl-1-oxidanyl-5-phenylsulfanyl-8,10-dioxaspiro[5.5]undecane-7,11-dione

Systemtic Name: (1R,5S)-9,9-dimethyl-1-oxidanyl-5-phenylsulfanyl-8,10-dioxaspiro[5.5]undecane-7,11-dione Openeye Name: (1R,5S)-1-hydroxy-9,9-dimethyl-5-phenylsulfanyl-8,10-dioxaspiro[5.5]undecane-7,11-dione CAS Name: (1R,5S)-1-hydroxy-9,9-dimethyl-5-(phenylthio)-8,10-dioxaspiro[5.5]undecane-7,11-dione IUPAC Name: (1R,5S)-1-hydroxy-9,9-dimethyl-5-phenylsulfanyl-8,10-dioxaspiro[5.5]undecane-7,11-dione Traditional Name: (1R,5S)-1-hydroxy-9,9-dimethyl-5-(phenylthio)-8,10-dioxaspiro[5.5]undecane-7,11-quinone Formula: C17H20O5S MolecularWeight: 336.4027

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C2(C(CCCC2SC3=CC=CC=C3)O)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C2([C@@H](CCC[C@@H]2SC3=CC=CC=C3)O)C(=O)O1)C

InChI

InChI=1S/C17H20O5S/c1-16(2)21-14(19)17(15(20)22-16)12(18)9-6-10-13(17)23-11-7-4-3-5-8-11/h3-5,7-8,12-13,18H,6,9-10H2,1-2H3/t12-,13+/m1/s1