sodium 3-methyl-6-(5-phenylpentylsulfanyl)-7-propyl-1-benzofuran-2-carboxylate

Systemtic Name: sodium 3-methyl-6-(5-phenylpentylsulfanyl)-7-propyl-1-benzofuran-2-carboxylate Openeye Name: sodium 3-methyl-6-(5-phenylpentylsulfanyl)-7-propyl-benzofuran-2-carboxylate CAS Name: sodium 3-methyl-6-(5-phenylpentylthio)-7-propyl-2-benzofurancarboxylate IUPAC Name: sodium 3-methyl-6-(5-phenylpentylsulfanyl)-7-propyl-1-benzofuran-2-carboxylate Traditional Name: sodium 3-methyl-6-(5-phenylpentylthio)-7-propyl-coumarilate Formula: C24H27NaO3S MolecularWeight: 418.52415

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=C2C)C(=O)[O-])SCCCCCC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=C2C)C(=O)[O-])SCCCCCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C24H28O3S.Na/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);/q;+1/p-1