[4-acetyloxy-8-[2,6-bis(chloranyl)phenyl]sulfinyl-2,3-dimethoxy-naphthalen-1-yl] 3-bromanylbenzoate

Systemtic Name: [4-acetyloxy-8-[2,6-bis(chloranyl)phenyl]sulfinyl-2,3-dimethoxy-naphthalen-1-yl] 3-bromanylbenzoate Openeye Name: [4-acetoxy-8-(2,6-dichlorophenyl)sulfinyl-2,3-dimethoxy-1-naphthyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-acetyloxy-8-(2,6-dichlorophenyl)sulfinyl-2,3-dimethoxy-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-8-(2,6-dichlorophenyl)sulfinyl-2,3-dimethoxynaphthalen-1-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-acetoxy-8-(2,6-dichlorophenyl)sulfinyl-2,3-dimethoxy-1-naphthyl] ester Formula: C27H19BrCl2O7S MolecularWeight: 638.31056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C2=C1C=CC=C2S(=O)C3=C(C=CC=C3Cl)Cl)OC(=O)C4=CC(=CC=C4)Br)OC)OC

Isomeric SMILES

CC(=O)OC1=C(C(=C(C2=C1C=CC=C2S(=O)C3=C(C=CC=C3Cl)Cl)OC(=O)C4=CC(=CC=C4)Br)OC)OC

InChI

InChI=1S/C27H19BrCl2O7S/c1-14(31)36-22-17-9-5-12-20(38(33)26-18(29)10-6-11-19(26)30)21(17)23(25(35-3)24(22)34-2)37-27(32)15-7-4-8-16(28)13-15/h4-13H,1-3H3