[4-acetyloxy-2,3-dimethoxy-5-(2-methoxy-2-oxidanylidene-ethyl)sulfinyl-naphthalen-1-yl] pentanoate

Systemtic Name: [4-acetyloxy-2,3-dimethoxy-5-(2-methoxy-2-oxidanylidene-ethyl)sulfinyl-naphthalen-1-yl] pentanoate Openeye Name: [4-acetoxy-2,3-dimethoxy-5-(2-methoxy-2-oxo-ethyl)sulfinyl-1-naphthyl] pentanoate CAS Name: pentanoic acid [4-acetyloxy-2,3-dimethoxy-5-(2-methoxy-2-oxoethyl)sulfinyl-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-2,3-dimethoxy-5-(2-methoxy-2-oxoethyl)sulfinylnaphthalen-1-yl] pentanoate Traditional Name: valeric acid [4-acetoxy-5-(2-keto-2-methoxy-ethyl)sulfinyl-2,3-dimethoxy-1-naphthyl] ester Formula: C22H26O9S MolecularWeight: 466.50144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C(=C(C2=C1C=CC=C2S(=O)CC(=O)OC)OC(=O)C)OC)OC

Isomeric SMILES

CCCCC(=O)OC1=C(C(=C(C2=C1C=CC=C2S(=O)CC(=O)OC)OC(=O)C)OC)OC

InChI

InChI=1S/C22H26O9S/c1-6-7-11-16(24)31-19-14-9-8-10-15(32(26)12-17(25)27-3)18(14)20(30-13(2)23)22(29-5)21(19)28-4/h8-10H,6-7,11-12H2,1-5H3