2-ethylhexyl 2-[(3-methoxy-4-oxidanyl-phenyl)methylsulfanyl]ethanoate

Systemtic Name: 2-ethylhexyl 2-[(3-methoxy-4-oxidanyl-phenyl)methylsulfanyl]ethanoate Openeye Name: 2-ethylhexyl 2-[(4-hydroxy-3-methoxy-phenyl)methylsulfanyl]acetate CAS Name: 2-[(4-hydroxy-3-methoxyphenyl)methylthio]acetic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 2-[(4-hydroxy-3-methoxyphenyl)methylsulfanyl]acetate Traditional Name: 2-(vanillylthio)acetic acid 2-ethylhexyl ester Formula: C18H28O4S MolecularWeight: 340.47752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CSCC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CCCCC(CC)COC(=O)CSCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C18H28O4S/c1-4-6-7-14(5-2)11-22-18(20)13-23-12-15-8-9-16(19)17(10-15)21-3/h8-10,14,19H,4-7,11-13H2,1-3H3