3-methyl-6-(5-phenylpentylsulfanyl)-7-propyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-methyl-6-(5-phenylpentylsulfanyl)-7-propyl-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-6-(5-phenylpentylsulfanyl)-7-propyl-benzofuran-2-carboxylic acid CAS Name: 3-methyl-6-(5-phenylpentylthio)-7-propyl-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-6-(5-phenylpentylsulfanyl)-7-propyl-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-6-(5-phenylpentylthio)-7-propyl-coumarilic acid Formula: C24H28O3S MolecularWeight: 396.54232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=C2C)C(=O)O)SCCCCCC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=C2C)C(=O)O)SCCCCCC3=CC=CC=C3

InChI

InChI=1S/C24H28O3S/c1-3-10-20-21(15-14-19-17(2)22(24(25)26)27-23(19)20)28-16-9-5-8-13-18-11-6-4-7-12-18/h4,6-7,11-12,14-15H,3,5,8-10,13,16H2,1-2H3,(H,25,26)