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Desmethylene Oxobexarotene-13C4 Methyl Ester

ISO 17034:
Catalog Number : CS-T-89148
CAS Number : 1391054-72-0
Status : Available
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Chemical Information

Chemical Name : Desmethylene Oxobexarotene-13C4 Methyl Ester
Category : Isotope Labelled Compounds

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Additional Information

Canonical SMILES : CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)C(=O)OC)C(CCC2(C)C)(C)C
Isomeric SMILES : CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)C(=O)OC)C(CCC2([13CH3])[13CH3])([13CH3])[13CH3]
InChI : InChI=1S/C24H28O3/c1-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25)16-7-9-17(10-8-16)22(26)27-6/h7-10,13-14H,11-12H2,1-6H3/i2+1,3+1,4+1,5+1
InchIKey : DYVLPJYIGJZAKF-LBHFFFFPSA-N
IUPAC Name : methyl 4-[3-methyl-5,5,8,8-tetra((113C)methyl)-6,7-dihydronaphthalene-2-carbonyl]benzoate
Exact Mass : 368.21726409

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