(1-butylsulfanyl-3-propan-2-yloxy-propan-2-yl) benzoate

Systemtic Name: (1-butylsulfanyl-3-propan-2-yloxy-propan-2-yl) benzoate Openeye Name: [1-(butylsulfanylmethyl)-2-isopropoxy-ethyl] benzoate CAS Name: benzoic acid [1-(butylthio)-3-propan-2-yloxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-propan-2-yloxypropan-2-yl) benzoate Traditional Name: benzoic acid [1-[(butylthio)methyl]-2-isopropoxy-ethyl] ester Formula: C17H26O3S MolecularWeight: 310.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O3S/c1-4-5-11-21-13-16(12-19-14(2)3)20-17(18)15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-13H2,1-3H3