6-methylheptyl 2-sulfanylbenzoate

Systemtic Name: 6-methylheptyl 2-sulfanylbenzoate Openeye Name: 6-methylheptyl 2-sulfanylbenzoate CAS Name: 2-mercaptobenzoic acid 6-methylheptyl ester IUPAC Name: 6-methylheptyl 2-sulfanylbenzoate Traditional Name: 2-mercaptobenzoic acid 6-methylheptyl ester Formula: C15H22O2S MolecularWeight: 266.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C1=CC=CC=C1S

Isomeric SMILES

CC(C)CCCCCOC(=O)C1=CC=CC=C1S

InChI

InChI=1S/C15H22O2S/c1-12(2)8-4-3-7-11-17-15(16)13-9-5-6-10-14(13)18/h5-6,9-10,12,18H,3-4,7-8,11H2,1-2H3