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Details

Stereochemistry ACHIRAL
Molecular Formula C28H18O4
Molecular Weight 418.4401
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIBENZOATE-9,10-PHENANTHRENEDIOL

SMILES

O=C(OC1=C2C=CC=CC2=C3C=CC=CC3=C1OC(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=HFMSVFXDRXRZHF-UHFFFAOYSA-N
InChI=1S/C28H18O4/c29-27(19-11-3-1-4-12-19)31-25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)32-28(30)20-13-5-2-6-14-20/h1-18H

HIDE SMILES / InChI

Molecular Formula C28H18O4
Molecular Weight 418.4401
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 12:45:26 GMT 2023
Edited
by admin
on Sat Dec 16 12:45:26 GMT 2023
Record UNII
EJ4S4EEJ3B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIBENZOATE-9,10-PHENANTHRENEDIOL
Systematic Name English
9,10-PHENANTHRENEDIOL, DIBENZOATE
Systematic Name English
9,10-PHENANTHRENEDIOL, 9,10-DIBENZOATE
Systematic Name English
NSC-408496
Code English
Code System Code Type Description
FDA UNII
EJ4S4EEJ3B
Created by admin on Sat Dec 16 12:45:26 GMT 2023 , Edited by admin on Sat Dec 16 12:45:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID30221468
Created by admin on Sat Dec 16 12:45:26 GMT 2023 , Edited by admin on Sat Dec 16 12:45:26 GMT 2023
PRIMARY
PUBCHEM
348963
Created by admin on Sat Dec 16 12:45:26 GMT 2023 , Edited by admin on Sat Dec 16 12:45:26 GMT 2023
PRIMARY
NSC
408496
Created by admin on Sat Dec 16 12:45:26 GMT 2023 , Edited by admin on Sat Dec 16 12:45:26 GMT 2023
PRIMARY
CAS
71310-31-1
Created by admin on Sat Dec 16 12:45:26 GMT 2023 , Edited by admin on Sat Dec 16 12:45:26 GMT 2023
PRIMARY