(1R,2S)-2-methyl-1-phenylsulfanyl-4-oxaspiro[4.11]hexadecan-3-one

Systemtic Name: (1R,2S)-2-methyl-1-phenylsulfanyl-4-oxaspiro[4.11]hexadecan-3-one Openeye Name: (1R,2S)-2-methyl-1-phenylsulfanyl-4-oxaspiro[4.11]hexadecan-3-one CAS Name: (1R,2S)-2-methyl-1-(phenylthio)-4-oxaspiro[4.11]hexadecan-3-one IUPAC Name: (1R,2S)-2-methyl-1-phenylsulfanyl-4-oxaspiro[4.11]hexadecan-3-one Traditional Name: (1R,2S)-2-methyl-1-(phenylthio)-4-oxaspiro[4.11]hexadecan-3-one Formula: C22H32O2S MolecularWeight: 360.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2(CCCCCCCCCCC2)OC1=O)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1[C@H](C2(CCCCCCCCCCC2)OC1=O)SC3=CC=CC=C3

InChI

InChI=1S/C22H32O2S/c1-18-20(25-19-14-10-9-11-15-19)22(24-21(18)23)16-12-7-5-3-2-4-6-8-13-17-22/h9-11,14-15,18,20H,2-8,12-13,16-17H2,1H3/t18-,20-/m1/s1