3,3'-(PHENYLMETHYLENE)BIS(6-HEXYL-4,7-DIHYDROXY-2H-1-BENZOPYRAN-2-ONE)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C37H40O8
Molecular Weight	612.7087
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,3'-(PHENYLMETHYLENE)BIS(6-HEXYL-4,7-DIHYDROXY-2H-1-BENZOPYRAN-2-ONE)

Structure Search

SMILES

CCCCCCC1=CC2=C(OC(=O)C(C(C3=CC=CC=C3)C4=C(O)C5=C(OC4=O)C=C(O)C(CCCCCC)=C5)=C2O)C=C1O

InChI

InChIKey=JBLNKXDECGBIDN-UHFFFAOYSA-N

InChI=1S/C37H40O8/c1-3-5-7-10-16-23-18-25-29(20-27(23)38)44-36(42)32(34(25)40)31(22-14-12-9-13-15-22)33-35(41)26-19-24(17-11-8-6-4-2)28(39)21-30(26)45-37(33)43/h9,12-15,18-21,31,38-41H,3-8,10-11,16-17H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C37H40O8
Molecular Weight	612.7087
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 `Sat Dec 16 13:15:22 GMT 2023` Edited by `admin` on `Sat Dec 16 13:15:22 GMT 2023`
Record UNII	YM7PP4TFS9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,3'-(PHENYLMETHYLENE)BIS(6-HEXYL-4,7-DIHYDROXY-2H-1-BENZOPYRAN-2-ONE)

Systematic Name

English

2H-1-BENZOPYRAN-2-ONE, 3,3'-(PHENYLMETHYLENE)BIS(6-HEXYL-4,7-DIHYDROXY-

Systematic Name

English

NSC-32180

Code

English

Code System Code Type Description

EPA CompTox

DTXSID40212589