3-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,4,5-trioxaspiro[5.11]heptadecane

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,4,5-trioxaspiro[5.11]heptadecane Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,4,5-trioxaspiro[5.11]heptadecane CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-3-phenyl-1,4,5-trioxaspiro[5.11]heptadecane IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,4,5-trioxaspiro[5.11]heptadecane Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-3-phenyl-1,4,5-trioxaspiro[5.11]heptadecane Formula: C27H35ClO3S MolecularWeight: 475.083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC2(CCCCC1)OCC(OO2)(CSC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCCCCC2(CCCCC1)OCC(OO2)(CSC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H35ClO3S/c28-24-15-17-25(18-16-24)32-22-26(23-13-9-8-10-14-23)21-29-27(31-30-26)19-11-6-4-2-1-3-5-7-12-20-27/h8-10,13-18H,1-7,11-12,19-22H2