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octacosyl 3-methyl-1-benzothiophene-2-carboxylate

octacosyl 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name:octacosyl 3-methyl-1-benzothiophene-2-carboxylate
Openeye Name:octacosyl 3-methylbenzothiophene-2-carboxylate
CAS Name:3-methyl-1-benzothiophene-2-carboxylic acid octacosyl ester
IUPAC Name:octacosyl 3-methyl-1-benzothiophene-2-carboxylate
Traditional Name:3-methylbenzothiophene-2-carboxylic acid montanyl ester
Formula: C38H64O2S
MolecularWeight: 584.97856
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=C(C2=CC=CC=C2S1)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=C(C2=CC=CC=C2S1)C


InChI

InChI=1S/C38H64O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-33-40-38(39)37-34(2)35-31-28-29-32-36(35)41-37/h28-29,31-32H,3-27,30,33H2,1-2H3


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