(1S,2S,3R)-2-chloranyl-2-(4-methylphenyl)sulfinyl-1-phenethyl-spiro[2.5]octan-8-one

Systemtic Name: (1S,2S,3R)-2-chloranyl-2-(4-methylphenyl)sulfinyl-1-phenethyl-spiro[2.5]octan-8-one Openeye Name: (1S,2S,3R)-2-chloro-1-phenethyl-2-(p-tolylsulfinyl)spiro[2.5]octan-8-one CAS Name: (1S,2S,3R)-2-chloro-2-(4-methylphenyl)sulfinyl-1-phenethyl-8-spiro[2.5]octanone IUPAC Name: (1S,2S,3R)-2-chloro-2-(4-methylphenyl)sulfinyl-1-phenethylspiro[2.5]octan-8-one Traditional Name: (1S,2S,3R)-2-chloro-1-phenethyl-2-(p-tolylsulfinyl)spiro[2.5]octan-8-one Formula: C23H25ClO2S MolecularWeight: 400.9614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C2(C(C23CCCCC3=O)CCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)[C@@]2([C@H]([C@@]23CCCCC3=O)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H25ClO2S/c1-17-10-13-19(14-11-17)27(26)23(24)20(15-12-18-7-3-2-4-8-18)22(23)16-6-5-9-21(22)25/h2-4,7-8,10-11,13-14,20H,5-6,9,12,15-16H2,1H3/t20-,22+,23+,27?/m0/s1