[4-acetyloxy-5-(2-bromophenyl)sulfinyl-2,3-dimethoxy-naphthalen-1-yl] 4-fluoranylbenzoate

Systemtic Name: [4-acetyloxy-5-(2-bromophenyl)sulfinyl-2,3-dimethoxy-naphthalen-1-yl] 4-fluoranylbenzoate Openeye Name: [4-acetoxy-5-(2-bromophenyl)sulfinyl-2,3-dimethoxy-1-naphthyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-acetyloxy-5-(2-bromophenyl)sulfinyl-2,3-dimethoxy-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-5-(2-bromophenyl)sulfinyl-2,3-dimethoxynaphthalen-1-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-acetoxy-5-(2-bromophenyl)sulfinyl-2,3-dimethoxy-1-naphthyl] ester Formula: C27H20BrFO7S MolecularWeight: 587.410903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C2=C1C(=CC=C2)S(=O)C3=CC=CC=C3Br)OC(=O)C4=CC=C(C=C4)F)OC)OC

Isomeric SMILES

CC(=O)OC1=C(C(=C(C2=C1C(=CC=C2)S(=O)C3=CC=CC=C3Br)OC(=O)C4=CC=C(C=C4)F)OC)OC

InChI

InChI=1S/C27H20BrFO7S/c1-15(30)35-24-22-18(7-6-10-21(22)37(32)20-9-5-4-8-19(20)28)23(25(33-2)26(24)34-3)36-27(31)16-11-13-17(29)14-12-16/h4-14H,1-3H3