5-hexadecoxy-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-hexadecoxy-1-benzofuran-2-carboxylic acid Openeye Name: 5-hexadecoxybenzofuran-2-carboxylic acid CAS Name: 5-hexadecoxy-2-benzofurancarboxylic acid IUPAC Name: 5-hexadecoxy-1-benzofuran-2-carboxylic acid Traditional Name: 5-cetyloxycoumarilic acid Formula: C25H38O4 MolecularWeight: 402.56682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)OC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)OC(=C2)C(=O)O

InChI

InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28-22-16-17-23-21(19-22)20-24(29-23)25(26)27/h16-17,19-20H,2-15,18H2,1H3,(H,26,27)