DIBENZOATE-9,10-PHENANTHRENEDIOL

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NCATS

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

Structure Search

SMILES

O=C(OC1=C(OC(=O)C2=CC=CC=C2)C3=C(C=CC=C3)C4=CC=CC=C14)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 `Tue Apr 01 19:43:58 GMT 2025` Edited by `admin` on `Tue Apr 01 19:43:58 GMT 2025`
Record UNII	EJ4S4EEJ3B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIBENZOATE-9,10-PHENANTHRENEDIOL

Systematic Name

English

NSC-408496

Preferred Name

English

9,10-PHENANTHRENEDIOL, DIBENZOATE

Systematic Name

English

9,10-PHENANTHRENEDIOL, 9,10-DIBENZOATE

Systematic Name

English

Code System Code Type Description

FDA UNII

EJ4S4EEJ3B

Created by admin on Tue Apr 01 19:43:58 GMT 2025 , Edited by admin on Tue Apr 01 19:43:58 GMT 2025

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EPA CompTox

DTXSID30221468

Created by admin on Tue Apr 01 19:43:58 GMT 2025 , Edited by admin on Tue Apr 01 19:43:58 GMT 2025

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PUBCHEM

348963

Created by admin on Tue Apr 01 19:43:58 GMT 2025 , Edited by admin on Tue Apr 01 19:43:58 GMT 2025

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NSC

408496

Created by admin on Tue Apr 01 19:43:58 GMT 2025 , Edited by admin on Tue Apr 01 19:43:58 GMT 2025

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CAS

71310-31-1

Created by admin on Tue Apr 01 19:43:58 GMT 2025 , Edited by admin on Tue Apr 01 19:43:58 GMT 2025

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