[2,3-dimethoxy-4-oxidanyl-8-(phenylmethyl)sulfinyl-naphthalen-1-yl] ethanoate

Systemtic Name: [2,3-dimethoxy-4-oxidanyl-8-(phenylmethyl)sulfinyl-naphthalen-1-yl] ethanoate Openeye Name: (8-benzylsulfinyl-4-hydroxy-2,3-dimethoxy-1-naphthyl) acetate CAS Name: acetic acid [4-hydroxy-2,3-dimethoxy-8-(phenylmethyl)sulfinyl-1-naphthalenyl] ester IUPAC Name: (8-benzylsulfinyl-4-hydroxy-2,3-dimethoxynaphthalen-1-yl) acetate Traditional Name: acetic acid (8-benzylsulfinyl-4-hydroxy-2,3-dimethoxy-1-naphthyl) ester Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C2=C1C(=CC=C2)S(=O)CC3=CC=CC=C3)O)OC)OC

Isomeric SMILES

CC(=O)OC1=C(C(=C(C2=C1C(=CC=C2)S(=O)CC3=CC=CC=C3)O)OC)OC

InChI

InChI=1S/C21H20O6S/c1-13(22)27-19-17-15(18(23)20(25-2)21(19)26-3)10-7-11-16(17)28(24)12-14-8-5-4-6-9-14/h4-11,23H,12H2,1-3H3