sodium 7-[5-(4-phenylbutyl)thiophen-2-yl]heptanoate

Systemtic Name: sodium 7-[5-(4-phenylbutyl)thiophen-2-yl]heptanoate Openeye Name: sodium 7-[5-(4-phenylbutyl)-2-thienyl]heptanoate CAS Name: sodium 7-[5-(4-phenylbutyl)-2-thiophenyl]heptanoate IUPAC Name: sodium 7-[5-(4-phenylbutyl)thiophen-2-yl]heptanoate Traditional Name: sodium 7-[5-(4-phenylbutyl)-2-thienyl]enanthate Formula: C21H27NaO2S MolecularWeight: 366.49265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=CC=C(S2)CCCCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=CC=C(S2)CCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C21H28O2S.Na/c22-21(23)15-7-2-1-6-13-19-16-17-20(24-19)14-9-8-12-18-10-4-3-5-11-18;/h3-5,10-11,16-17H,1-2,6-9,12-15H2,(H,22,23);/q;+1/p-1