[4-acetyloxy-2,3-dimethoxy-8-(2-methoxy-2-oxidanylidene-ethyl)sulfinyl-naphthalen-1-yl] pentanoate

Systemtic Name: [4-acetyloxy-2,3-dimethoxy-8-(2-methoxy-2-oxidanylidene-ethyl)sulfinyl-naphthalen-1-yl] pentanoate Openeye Name: [4-acetoxy-2,3-dimethoxy-8-(2-methoxy-2-oxo-ethyl)sulfinyl-1-naphthyl] pentanoate CAS Name: pentanoic acid [4-acetyloxy-2,3-dimethoxy-8-(2-methoxy-2-oxoethyl)sulfinyl-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-2,3-dimethoxy-8-(2-methoxy-2-oxoethyl)sulfinylnaphthalen-1-yl] pentanoate Traditional Name: valeric acid [4-acetoxy-8-(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=C2)S(=O)CC(=O)OC)OC(=O)C)OC)OC

Isomeric SMILES

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

InChI

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