9,10-PHENANTHRENEDIOL, MONOBENZOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H14O3
Molecular Weight	314.3341
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9,10-PHENANTHRENEDIOL, MONOBENZOATE

Structure Search

SMILES

OC1=C(OC(=O)C2=CC=CC=C2)C3=C(C=CC=C3)C4=CC=CC=C14

InChI

InChIKey=FXVNMUNYTZMPQM-UHFFFAOYSA-N

InChI=1S/C21H14O3/c22-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20(19)24-21(23)14-8-2-1-3-9-14/h1-13,22H

HIDE SMILES / InChI

Molecular Formula	C21H14O3
Molecular Weight	314.3341
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 19:44:19 GMT 2025` Edited by `admin` on `Tue Apr 01 19:44:19 GMT 2025`
Record UNII	X1IEL6Z5UJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-407911

Preferred Name

English

9,10-PHENANTHRENEDIOL, MONOBENZOATE

Systematic Name

English

9,10-PHENANTHRENEDIOL, 9-BENZOATE

Systematic Name

English

Code System Code Type Description

FDA UNII

X1IEL6Z5UJ

Created by admin on Tue Apr 01 19:44:19 GMT 2025 , Edited by admin on Tue Apr 01 19:44:19 GMT 2025

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CAS

39559-48-3

Created by admin on Tue Apr 01 19:44:19 GMT 2025 , Edited by admin on Tue Apr 01 19:44:19 GMT 2025

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NSC

407911

Created by admin on Tue Apr 01 19:44:19 GMT 2025 , Edited by admin on Tue Apr 01 19:44:19 GMT 2025

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EPA CompTox

DTXSID20192673

Created by admin on Tue Apr 01 19:44:19 GMT 2025 , Edited by admin on Tue Apr 01 19:44:19 GMT 2025

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PUBCHEM

348540

Created by admin on Tue Apr 01 19:44:19 GMT 2025 , Edited by admin on Tue Apr 01 19:44:19 GMT 2025

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