3,3-bis[(4-methylphenyl)sulfanyl]-7-phenyl-spiro[3.5]nonane

Systemtic Name: 3,3-bis[(4-methylphenyl)sulfanyl]-7-phenyl-spiro[3.5]nonane Openeye Name: 7-phenyl-3,3-bis(p-tolylsulfanyl)spiro[3.5]nonane CAS Name: 3,3-bis[(4-methylphenyl)thio]-7-phenylspiro[3.5]nonane IUPAC Name: 3,3-bis[(4-methylphenyl)sulfanyl]-7-phenylspiro[3.5]nonane Traditional Name: 7-phenyl-3,3-bis(p-tolylthio)spiro[3.5]nonane Formula: C29H32S2 MolecularWeight: 444.69438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(CCC23CCC(CC3)C4=CC=CC=C4)SC5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2(CCC23CCC(CC3)C4=CC=CC=C4)SC5=CC=C(C=C5)C

InChI

InChI=1S/C29H32S2/c1-22-8-12-26(13-9-22)30-29(31-27-14-10-23(2)11-15-27)21-20-28(29)18-16-25(17-19-28)24-6-4-3-5-7-24/h3-15,25H,16-21H2,1-2H3