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Details

Stereochemistry ACHIRAL
Molecular Formula C18H26O4S
Molecular Weight 338.462
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isooctyl 2-mercaptoethyl phthalate

SMILES

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

InChI

InChIKey=KWNLPAQLPZUUKG-UHFFFAOYSA-N
InChI=1S/C18H26O4S/c1-14(2)8-4-3-7-11-21-17(19)15-9-5-6-10-16(15)18(20)22-12-13-23/h5-6,9-10,14,23H,3-4,7-8,11-13H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H26O4S
Molecular Weight 338.462
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:40:00 GMT 2023
Edited
by admin
on Sat Dec 16 12:40:00 GMT 2023
Record UNII
C48SV7QZZ6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Isooctyl 2-mercaptoethyl phthalate
Systematic Name English
2-Mercaptoethyl isooctyl phthalate
Systematic Name English
1-O-(6-methylheptyl) 2-O-(2-sulfanylethyl) benzene-1,2-dicarboxylate
Systematic Name English
1,2-Benzenedicarboxylic acid, isooctyl 2-mercaptoethyl ester
Systematic Name English
1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester
Systematic Name English
Code System Code Type Description
FDA UNII
C48SV7QZZ6
Created by admin on Sat Dec 16 12:40:00 GMT 2023 , Edited by admin on Sat Dec 16 12:40:00 GMT 2023
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CAS
67907-16-8
Created by admin on Sat Dec 16 12:40:00 GMT 2023 , Edited by admin on Sat Dec 16 12:40:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID2070843
Created by admin on Sat Dec 16 12:40:00 GMT 2023 , Edited by admin on Sat Dec 16 12:40:00 GMT 2023
PRIMARY
PUBCHEM
106126
Created by admin on Sat Dec 16 12:40:00 GMT 2023 , Edited by admin on Sat Dec 16 12:40:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
267-736-4
Created by admin on Sat Dec 16 12:40:00 GMT 2023 , Edited by admin on Sat Dec 16 12:40:00 GMT 2023
PRIMARY