(1-butylsulfanyl-3-propan-2-yloxy-propan-2-yl) 4-methylbenzoate

Systemtic Name: (1-butylsulfanyl-3-propan-2-yloxy-propan-2-yl) 4-methylbenzoate Openeye Name: [1-(butylsulfanylmethyl)-2-isopropoxy-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-(butylthio)-3-propan-2-yloxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [1-[(butylthio)methyl]-2-isopropoxy-ethyl] ester Formula: C18H28O3S MolecularWeight: 324.47812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COC(C)C)OC(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCSCC(COC(C)C)OC(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C18H28O3S/c1-5-6-11-22-13-17(12-20-14(2)3)21-18(19)16-9-7-15(4)8-10-16/h7-10,14,17H,5-6,11-13H2,1-4H3