benzenethiol; 2-[10-(4-methylphenyl)sulfanyldeca-2,5,8-triynoxy]oxane

Systemtic Name: benzenethiol; 2-[10-(4-methylphenyl)sulfanyldeca-2,5,8-triynoxy]oxane Openeye Name: benzenethiol; 2-[10-(p-tolylsulfanyl)deca-2,5,8-triynoxy]tetrahydropyran CAS Name: benzenethiol; 2-[10-[(4-methylphenyl)thio]deca-2,5,8-triynoxy]oxane IUPAC Name: benzenethiol; 2-[10-(4-methylphenyl)sulfanyldeca-2,5,8-triynoxy]oxane Traditional Name: benzenethiol; 2-[10-(p-tolylthio)deca-2,5,8-triynoxy]tetrahydropyran Formula: C28H30O2S2 MolecularWeight: 462.6666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC#CCC#CCC#CCOC2CCCCO2.C1=CC=C(C=C1)S

Isomeric SMILES

CC1=CC=C(C=C1)SCC#CCC#CCC#CCOC2CCCCO2.C1=CC=C(C=C1)S

InChI

InChI=1S/C22H24O2S.C6H6S/c1-20-13-15-21(16-14-20)25-19-11-7-5-3-2-4-6-9-17-23-22-12-8-10-18-24-22;7-6-4-2-1-3-5-6/h13-16,22H,4-5,8,10,12,17-19H2,1H3;1-5,7H