(2R,3R)-3-heptyl-2-phenylsulfanyl-4-oxaspiro[4.5]decan-1-one

Systemtic Name: (2R,3R)-3-heptyl-2-phenylsulfanyl-4-oxaspiro[4.5]decan-1-one Openeye Name: (2R,3R)-3-heptyl-2-phenylsulfanyl-4-oxaspiro[4.5]decan-1-one CAS Name: (2R,3R)-3-heptyl-2-(phenylthio)-4-oxaspiro[4.5]decan-1-one IUPAC Name: (2R,3R)-3-heptyl-2-phenylsulfanyl-4-oxaspiro[4.5]decan-1-one Traditional Name: (2R,3R)-3-heptyl-2-(phenylthio)-4-oxaspiro[4.5]decan-1-one Formula: C22H32O2S MolecularWeight: 360.55328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(C(=O)C2(O1)CCCCC2)SC3=CC=CC=C3

Isomeric SMILES

CCCCCCC[C@@H]1[C@H](C(=O)C2(O1)CCCCC2)SC3=CC=CC=C3

InChI

InChI=1S/C22H32O2S/c1-2-3-4-5-10-15-19-20(25-18-13-8-6-9-14-18)21(23)22(24-19)16-11-7-12-17-22/h6,8-9,13-14,19-20H,2-5,7,10-12,15-17H2,1H3/t19-,20-/m1/s1