octan-3-yl 2-sulfanylbenzoate

Systemtic Name: octan-3-yl 2-sulfanylbenzoate Openeye Name: 1-ethylhexyl 2-sulfanylbenzoate CAS Name: 2-mercaptobenzoic acid octan-3-yl ester IUPAC Name: octan-3-yl 2-sulfanylbenzoate Traditional Name: 2-mercaptobenzoic acid 1-ethylhexyl ester Formula: C15H22O2S MolecularWeight: 266.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C1=CC=CC=C1S

Isomeric SMILES

CCCCCC(CC)OC(=O)C1=CC=CC=C1S

InChI

InChI=1S/C15H22O2S/c1-3-5-6-9-12(4-2)17-15(16)13-10-7-8-11-14(13)18/h7-8,10-12,18H,3-6,9H2,1-2H3