2-[2-[(5-chloranylnaphthalen-2-yl)methyl]-4-methanoyl-5-methoxy-3-oxidanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(5-chloranylnaphthalen-2-yl)methyl]-4-methanoyl-5-methoxy-3-oxidanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-[(5-chloro-2-naphthyl)methyl]-4-formyl-3-hydroxy-5-methoxy-phenoxy]acetic acid CAS Name: 2-[2-[(5-chloro-2-naphthalenyl)methyl]-4-formyl-3-hydroxy-5-methoxyphenoxy]acetic acid IUPAC Name: 2-[2-[(5-chloronaphthalen-2-yl)methyl]-4-formyl-3-hydroxy-5-methoxyphenoxy]acetic acid Traditional Name: 2-[2-[(5-chloro-2-naphthyl)methyl]-4-formyl-3-hydroxy-5-methoxy-phenoxy]acetic acid Formula: C21H17ClO6 MolecularWeight: 400.80908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1C=O)O)CC2=CC3=C(C=C2)C(=CC=C3)Cl)OCC(=O)O

Isomeric SMILES

COC1=CC(=C(C(=C1C=O)O)CC2=CC3=C(C=C2)C(=CC=C3)Cl)OCC(=O)O

InChI

InChI=1S/C21H17ClO6/c1-27-18-9-19(28-11-20(24)25)15(21(26)16(18)10-23)8-12-5-6-14-13(7-12)3-2-4-17(14)22/h2-7,9-10,26H,8,11H2,1H3,(H,24,25)