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dioctyl 2-[1-(1,3-benzoxazol-2-ylsulfanyl)butyl]butanedioate

dioctyl 2-[1-(1,3-benzoxazol-2-ylsulfanyl)butyl]butanedioate

Systemtic Name:dioctyl 2-[1-(1,3-benzoxazol-2-ylsulfanyl)butyl]butanedioate
Openeye Name:dioctyl 2-[1-(1,3-benzoxazol-2-ylsulfanyl)butyl]butanedioate
CAS Name:2-[1-(1,3-benzoxazol-2-ylthio)butyl]butanedioic acid dioctyl ester
IUPAC Name:dioctyl 2-[1-(1,3-benzoxazol-2-ylsulfanyl)butyl]butanedioate
Traditional Name:2-[1-(1,3-benzoxazol-2-ylthio)butyl]succinic acid dioctyl ester
Formula: C31H49NO5S
MolecularWeight: 547.78946
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C(CCC)SC1=NC2=CC=CC=C2O1)C(=O)OCCCCCCCC


Isomeric SMILES

CCCCCCCCOC(=O)CC(C(CCC)SC1=NC2=CC=CC=C2O1)C(=O)OCCCCCCCC


InChI

InChI=1S/C31H49NO5S/c1-4-7-9-11-13-17-22-35-29(33)24-25(30(34)36-23-18-14-12-10-8-5-2)28(19-6-3)38-31-32-26-20-15-16-21-27(26)37-31/h15-16,20-21,25,28H,4-14,17-19,22-24H2,1-3H3


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