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

Systemtic Name: (1-butylsulfanyl-3-propan-2-yloxy-propan-2-yl) 4-chloranylbenzoate Openeye Name: [1-(butylsulfanylmethyl)-2-isopropoxy-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [1-(butylthio)-3-propan-2-yloxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-[(butylthio)methyl]-2-isopropoxy-ethyl] ester Formula: C17H25ClO3S MolecularWeight: 344.8966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClO3S/c1-4-5-10-22-12-16(11-20-13(2)3)21-17(19)14-6-8-15(18)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3