4,4-DIMETHYL-3-OXO-1-PHENYL-3,4-DIHYDRO-1H-ISOCHROMEN-1-YL ACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H18O4
Molecular Weight	310.3438
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,4-DIMETHYL-3-OXO-1-PHENYL-3,4-DIHYDRO-1H-ISOCHROMEN-1-YL ACETATE

Structure Search

SMILES

CC(=O)OC1(OC(=O)C(C)(C)C2=CC=CC=C12)C3=CC=CC=C3

InChI

InChIKey=DDMLLGMPLLDPCO-UHFFFAOYSA-N

InChI=1S/C19H18O4/c1-13(20)22-19(14-9-5-4-6-10-14)16-12-8-7-11-15(16)18(2,3)17(21)23-19/h4-12H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C19H18O4
Molecular Weight	310.3438
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:36:08 GMT 2025` Edited by `admin` on `Tue Apr 01 19:36:08 GMT 2025`
Record UNII	3TMJ75I6FG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-171739

Preferred Name

English

4,4-DIMETHYL-3-OXO-1-PHENYL-3,4-DIHYDRO-1H-ISOCHROMEN-1-YL ACETATE

Systematic Name

English

3H-2-BENZOPYRAN-3-ONE, 1-(ACETYLOXY)-1,4-DIHYDRO-4,4-DIMETHYL-1-PHENYL-

Systematic Name

English

HYDRATROPIC ACID, O-(.ALPHA.,.ALPHA.-DIHYDROXYBENZYL)-.ALPHA.-METHYL-, .DELTA.-LACTONE, ACETATE

Systematic Name

English

1-(ACETYLOXY)-1,4-DIHYDRO-4,4-DIMETHYL-1-PHENYL-3H-2-BENZOPYRAN-3-ONE

Systematic Name

English

3-ISOCHROMANONE, 1-HYDROXY-4,4-DIMETHYL-1-PHENYL-, ACETATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

299267

Created by admin on Tue Apr 01 19:36:08 GMT 2025 , Edited by admin on Tue Apr 01 19:36:08 GMT 2025

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FDA UNII

3TMJ75I6FG

Created by admin on Tue Apr 01 19:36:08 GMT 2025 , Edited by admin on Tue Apr 01 19:36:08 GMT 2025

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CAS

10271-34-8

Created by admin on Tue Apr 01 19:36:08 GMT 2025 , Edited by admin on Tue Apr 01 19:36:08 GMT 2025

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NSC

171739

Created by admin on Tue Apr 01 19:36:08 GMT 2025 , Edited by admin on Tue Apr 01 19:36:08 GMT 2025

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