2-ethylhexyl 3-sulfanylbenzoate

Systemtic Name: 2-ethylhexyl 3-sulfanylbenzoate Openeye Name: 2-ethylhexyl 3-sulfanylbenzoate CAS Name: 3-mercaptobenzoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-sulfanylbenzoate Traditional Name: 3-mercaptobenzoic acid 2-ethylhexyl ester Formula: C15H22O2S MolecularWeight: 266.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC(=CC=C1)S

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC(=CC=C1)S

InChI

InChI=1S/C15H22O2S/c1-3-5-7-12(4-2)11-17-15(16)13-8-6-9-14(18)10-13/h6,8-10,12,18H,3-5,7,11H2,1-2H3