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

Systemtic Name: [4-acetyloxy-5-(4-fluorophenyl)sulfinyl-2,3-dimethoxy-naphthalen-1-yl] 4-ethylbenzoate Openeye Name: [4-acetoxy-5-(4-fluorophenyl)sulfinyl-2,3-dimethoxy-1-naphthyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [4-acetyloxy-5-(4-fluorophenyl)sulfinyl-2,3-dimethoxy-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-5-(4-fluorophenyl)sulfinyl-2,3-dimethoxynaphthalen-1-yl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [4-acetoxy-5-(4-fluorophenyl)sulfinyl-2,3-dimethoxy-1-naphthyl] ester Formula: C29H25FO7S MolecularWeight: 536.568003

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C3=C2C=CC=C3S(=O)C4=CC=C(C=C4)F)OC(=O)C)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C3=C2C=CC=C3S(=O)C4=CC=C(C=C4)F)OC(=O)C)OC)OC

InChI

InChI=1S/C29H25FO7S/c1-5-18-9-11-19(12-10-18)29(32)37-25-22-7-6-8-23(38(33)21-15-13-20(30)14-16-21)24(22)26(36-17(2)31)28(35-4)27(25)34-3/h6-16H,5H2,1-4H3