[4-butoxy-2,3-dimethoxy-5-(phenylmethyl)sulfinyl-naphthalen-1-yl] ethanoate

Systemtic Name: [4-butoxy-2,3-dimethoxy-5-(phenylmethyl)sulfinyl-naphthalen-1-yl] ethanoate Openeye Name: (5-benzylsulfinyl-4-butoxy-2,3-dimethoxy-1-naphthyl) acetate CAS Name: acetic acid [4-butoxy-2,3-dimethoxy-5-(phenylmethyl)sulfinyl-1-naphthalenyl] ester IUPAC Name: (5-benzylsulfinyl-4-butoxy-2,3-dimethoxynaphthalen-1-yl) acetate Traditional Name: acetic acid (5-benzylsulfinyl-4-butoxy-2,3-dimethoxy-1-naphthyl) ester Formula: C25H28O6S MolecularWeight: 456.55122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C2=C1C(=CC=C2)S(=O)CC3=CC=CC=C3)OC(=O)C)OC)OC

Isomeric SMILES

CCCCOC1=C(C(=C(C2=C1C(=CC=C2)S(=O)CC3=CC=CC=C3)OC(=O)C)OC)OC

InChI

InChI=1S/C25H28O6S/c1-5-6-15-30-23-21-19(22(31-17(2)26)24(28-3)25(23)29-4)13-10-14-20(21)32(27)16-18-11-8-7-9-12-18/h7-14H,5-6,15-16H2,1-4H3