1-(butylsulfanylmethyl)-4-(chloromethyl)-2-(3,7-dimethyloctoxy)-5-methoxy-benzene

Systemtic Name: 1-(butylsulfanylmethyl)-4-(chloromethyl)-2-(3,7-dimethyloctoxy)-5-methoxy-benzene Openeye Name: 1-(butylsulfanylmethyl)-4-(chloromethyl)-2-(3,7-dimethyloctoxy)-5-methoxy-benzene CAS Name: 1-[(butylthio)methyl]-4-(chloromethyl)-2-(3,7-dimethyloctoxy)-5-methoxybenzene IUPAC Name: 1-(butylsulfanylmethyl)-4-(chloromethyl)-2-(3,7-dimethyloctoxy)-5-methoxybenzene Traditional Name: 1-[(butylthio)methyl]-4-(chloromethyl)-2-(3,7-dimethyloctoxy)-5-methoxy-benzene Formula: C23H39ClO2S MolecularWeight: 415.07256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=CC(=C(C=C1OCCC(C)CCCC(C)C)CCl)OC

Isomeric SMILES

CCCCSCC1=CC(=C(C=C1OCCC(C)CCCC(C)C)CCl)OC

InChI

InChI=1S/C23H39ClO2S/c1-6-7-13-27-17-21-15-22(25-5)20(16-24)14-23(21)26-12-11-19(4)10-8-9-18(2)3/h14-15,18-19H,6-13,16-17H2,1-5H3