2-(heptan-2-ylsulfanylmethyl)-1,3,5-trimethoxy-benzene

Systemtic Name: 2-(heptan-2-ylsulfanylmethyl)-1,3,5-trimethoxy-benzene Openeye Name: 1,3,5-trimethoxy-2-(1-methylhexylsulfanylmethyl)benzene CAS Name: 2-[(heptan-2-ylthio)methyl]-1,3,5-trimethoxybenzene IUPAC Name: 2-(heptan-2-ylsulfanylmethyl)-1,3,5-trimethoxybenzene Traditional Name: 1,3,5-trimethoxy-2-[(1-methylhexylthio)methyl]benzene Formula: C17H28O3S MolecularWeight: 312.46742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)SCC1=C(C=C(C=C1OC)OC)OC

Isomeric SMILES

CCCCCC(C)SCC1=C(C=C(C=C1OC)OC)OC

InChI

InChI=1S/C17H28O3S/c1-6-7-8-9-13(2)21-12-15-16(19-4)10-14(18-3)11-17(15)20-5/h10-11,13H,6-9,12H2,1-5H3