2-ethylhexyl 3-(4-methanoylphenyl)sulfanylpropanoate

Systemtic Name: 2-ethylhexyl 3-(4-methanoylphenyl)sulfanylpropanoate Openeye Name: 2-ethylhexyl 3-(4-formylphenyl)sulfanylpropanoate CAS Name: 3-[(4-formylphenyl)thio]propanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-(4-formylphenyl)sulfanylpropanoate Traditional Name: 3-[(4-formylphenyl)thio]propionic acid 2-ethylhexyl ester Formula: C18H26O3S MolecularWeight: 322.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CCSC1=CC=C(C=C1)C=O

Isomeric SMILES

CCCCC(CC)COC(=O)CCSC1=CC=C(C=C1)C=O

InChI

InChI=1S/C18H26O3S/c1-3-5-6-15(4-2)14-21-18(20)11-12-22-17-9-7-16(13-19)8-10-17/h7-10,13,15H,3-6,11-12,14H2,1-2H3