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2-decoxy-3-[3-(12-phenyldodecylsulfanyl)propyl]benzoate

2-decoxy-3-[3-(12-phenyldodecylsulfanyl)propyl]benzoate

Systemtic Name:2-decoxy-3-[3-(12-phenyldodecylsulfanyl)propyl]benzoate
Openeye Name:2-decoxy-3-[3-(12-phenyldodecylsulfanyl)propyl]benzoate
CAS Name:2-decoxy-3-[3-(12-phenyldodecylthio)propyl]benzoate
IUPAC Name:2-decoxy-3-[3-(12-phenyldodecylsulfanyl)propyl]benzoate
Traditional Name:2-decoxy-3-[3-(12-phenyldodecylthio)propyl]benzoate
Formula: C38H59O3S-
MolecularWeight: 595.93826
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=CC=C1CCCSCCCCCCCCCCCCC2=CC=CC=C2)C(=O)[O-]


Isomeric SMILES

CCCCCCCCCCOC1=C(C=CC=C1CCCSCCCCCCCCCCCCC2=CC=CC=C2)C(=O)[O-]


InChI

InChI=1S/C38H60O3S/c1-2-3-4-5-6-12-15-21-31-41-37-35(28-23-30-36(37)38(39)40)29-24-33-42-32-22-16-13-10-8-7-9-11-14-18-25-34-26-19-17-20-27-34/h17,19-20,23,26-28,30H,2-16,18,21-22,24-25,29,31-33H2,1H3,(H,39,40)/p-1


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