3-chloranyl-3-(4-methylphenyl)sulfonylsulfanyl-spiro[chromene-2,1'-cyclohexane]-4-one

Systemtic Name: 3-chloranyl-3-(4-methylphenyl)sulfonylsulfanyl-spiro[chromene-2,1'-cyclohexane]-4-one Openeye Name: 3-chloro-3-(p-tolylsulfonylsulfanyl)spiro[chromane-2,1'-cyclohexane]-4-one CAS Name: 3-chloro-3-[(4-methylphenyl)sulfonylthio]-4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclohexane]one IUPAC Name: 3-chloro-3-(4-methylphenyl)sulfonylsulfanylspiro[chromene-2,1'-cyclohexane]-4-one Traditional Name: 3-chloro-3-(tosylthio)spiro[chroman-2,1'-cyclohexane]-4-one Formula: C21H21ClO4S2 MolecularWeight: 436.97204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2(C(=O)C3=CC=CC=C3OC24CCCCC4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2(C(=O)C3=CC=CC=C3OC24CCCCC4)Cl

InChI

InChI=1S/C21H21ClO4S2/c1-15-9-11-16(12-10-15)28(24,25)27-21(22)19(23)17-7-3-4-8-18(17)26-20(21)13-5-2-6-14-20/h3-4,7-12H,2,5-6,13-14H2,1H3