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

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

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

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=C(SC2=CC=CC=C21)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=C(SC2=CC=CC=C21)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)41-36-32-29-28-31-35(36)37/h28-29,31-32H,3-27,30,33H2,1-2H3


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