U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H28O6P2
Molecular Weight 402.3588
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,2-Dioxaphosphorinane, 2,2?-[1,4-phenylenebis(methylene)]bis[5,5-dimethyl-, 2,2?-dioxide

SMILES

CC1(C)COP(=O)(CC2=CC=C(CP3(=O)OCC(C)(C)CO3)C=C2)OC1

InChI

InChIKey=HEJAJPLMZFPDTC-UHFFFAOYSA-N
InChI=1S/C18H28O6P2/c1-17(2)11-21-25(19,22-12-17)9-15-5-7-16(8-6-15)10-26(20)23-13-18(3,4)14-24-26/h5-8H,9-14H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
1,3,2-Dioxaphosphorinane, 2,2?-[1,4-phenylenebis(methylene)]bis[5,5-dimethyl-, 2,2?-dioxide
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID6070358
Created by admin on Tue Apr 01 18:29:27 GMT 2025 , Edited by admin on Tue Apr 01 18:29:27 GMT 2025
PRIMARY
PUBCHEM
105219
Created by admin on Tue Apr 01 18:29:27 GMT 2025 , Edited by admin on Tue Apr 01 18:29:27 GMT 2025
PRIMARY
ECHA (EC/EINECS)
265-947-6
Created by admin on Tue Apr 01 18:29:27 GMT 2025 , Edited by admin on Tue Apr 01 18:29:27 GMT 2025
PRIMARY
CAS
65850-52-4
Created by admin on Tue Apr 01 18:29:27 GMT 2025 , Edited by admin on Tue Apr 01 18:29:27 GMT 2025
PRIMARY
FDA UNII
6QU4Y96BQ8
Created by admin on Tue Apr 01 18:29:27 GMT 2025 , Edited by admin on Tue Apr 01 18:29:27 GMT 2025
PRIMARY