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heptyl 2-(phenylsulfanylmethoxy)benzoate

heptyl 2-(phenylsulfanylmethoxy)benzoate

Systemtic Name:heptyl 2-(phenylsulfanylmethoxy)benzoate
Openeye Name:heptyl 2-(phenylsulfanylmethoxy)benzoate
CAS Name:2-[(phenylthio)methoxy]benzoic acid heptyl ester
IUPAC Name:heptyl 2-(phenylsulfanylmethoxy)benzoate
Traditional Name:2-[(phenylthio)methoxy]benzoic acid heptyl ester
Formula: C21H26O3S
MolecularWeight: 358.49434
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=CC=C1OCSC2=CC=CC=C2


Isomeric SMILES

CCCCCCCOC(=O)C1=CC=CC=C1OCSC2=CC=CC=C2


InChI

InChI=1S/C21H26O3S/c1-2-3-4-5-11-16-23-21(22)19-14-9-10-15-20(19)24-17-25-18-12-7-6-8-13-18/h6-10,12-15H,2-5,11,16-17H2,1H3


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