[4-acetyloxy-7-(2-chlorophenyl)sulfinyl-2,3-dimethoxy-naphthalen-1-yl] 3,3-dimethylhexanoate

Systemtic Name: [4-acetyloxy-7-(2-chlorophenyl)sulfinyl-2,3-dimethoxy-naphthalen-1-yl] 3,3-dimethylhexanoate Openeye Name: [4-acetoxy-7-(2-chlorophenyl)sulfinyl-2,3-dimethoxy-1-naphthyl] 3,3-dimethylhexanoate CAS Name: 3,3-dimethylhexanoic acid [4-acetyloxy-7-(2-chlorophenyl)sulfinyl-2,3-dimethoxy-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-7-(2-chlorophenyl)sulfinyl-2,3-dimethoxynaphthalen-1-yl] 3,3-dimethylhexanoate Traditional Name: 3,3-dimethylhexanoic acid [4-acetoxy-7-(2-chlorophenyl)sulfinyl-2,3-dimethoxy-1-naphthyl] ester Formula: C28H31ClO7S MolecularWeight: 547.05954

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)CC(=O)OC1=C(C(=C(C2=C1C=C(C=C2)S(=O)C3=CC=CC=C3Cl)OC(=O)C)OC)OC

Isomeric SMILES

CCCC(C)(C)CC(=O)OC1=C(C(=C(C2=C1C=C(C=C2)S(=O)C3=CC=CC=C3Cl)OC(=O)C)OC)OC

InChI

InChI=1S/C28H31ClO7S/c1-7-14-28(3,4)16-23(31)36-25-20-15-18(37(32)22-11-9-8-10-21(22)29)12-13-19(20)24(35-17(2)30)26(33-5)27(25)34-6/h8-13,15H,7,14,16H2,1-6H3