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Product Overview

Product Code

TRC-A187685

CAS Number

85531-20-0

Product Format

Neat

Molecular Formula

C44 H28 O14

Molecular Weight

780.685

Product Categories

TRC

Product Information

Analyte Name

Acetylsalicylsalicylsalicylsalicylsalicylsalicylic Acid

CAS Number

85531-20-0

Molecular Formula

C44 H28 O14

Molecular Weight

780.685

Accurate Mass

780.148

SMILES

CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)Oc3ccccc3C(=O)Oc4ccccc4C(=O)Oc5ccccc5C(=O)Oc6ccccc6C(=O)O

InChI

InChI=1S/C44H28O14/c1-26(45)53-34-21-9-3-15-28(34)40(48)55-36-23-11-5-17-30(36)42(50)57-38-25-13-7-19-32(38)44(52)58-37-24-12-6-18-31(37)43(51)56-35-22-10-4-16-29(35)41(49)54-33-20-8-2-14-27(33)39(46)47/h2-25H,1H3,(H,46,47)

IUPAC

2-[2-[2-[2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoyl]oxybenzoyl]oxybenzoyl]oxybenzoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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