3,3-bis(chloranyl)-2-[3-methoxy-4-oxidanyl-5-(phenylmethyl)naphthalen-1-yl]prop-2-enoic acid

Systemtic Name: 3,3-bis(chloranyl)-2-[3-methoxy-4-oxidanyl-5-(phenylmethyl)naphthalen-1-yl]prop-2-enoic acid Openeye Name: 2-(5-benzyl-4-hydroxy-3-methoxy-1-naphthyl)-3,3-dichloro-prop-2-enoic acid CAS Name: 3,3-dichloro-2-[4-hydroxy-3-methoxy-5-(phenylmethyl)-1-naphthalenyl]-2-propenoic acid IUPAC Name: 2-(5-benzyl-4-hydroxy-3-methoxynaphthalen-1-yl)-3,3-dichloroprop-2-enoic acid Traditional Name: 2-(5-benzyl-4-hydroxy-3-methoxy-1-naphthyl)-3,3-dichloro-acrylic acid Formula: C21H16Cl2O4 MolecularWeight: 403.25534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=CC=C2CC3=CC=CC=C3)C(=C1)C(=C(Cl)Cl)C(=O)O)O

Isomeric SMILES

COC1=C(C2=C(C=CC=C2CC3=CC=CC=C3)C(=C1)C(=C(Cl)Cl)C(=O)O)O

InChI

InChI=1S/C21H16Cl2O4/c1-27-16-11-15(18(20(22)23)21(25)26)14-9-5-8-13(17(14)19(16)24)10-12-6-3-2-4-7-12/h2-9,11,24H,10H2,1H3,(H,25,26)