(7-chloranyl-2-ethanoyl-5,8-dimethoxy-3-oxidanyl-naphthalen-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (7-chloranyl-2-ethanoyl-5,8-dimethoxy-3-oxidanyl-naphthalen-1-yl) 4-methylbenzenesulfonate Openeye Name: (2-acetyl-7-chloro-3-hydroxy-5,8-dimethoxy-1-naphthyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-acetyl-7-chloro-3-hydroxy-5,8-dimethoxy-1-naphthalenyl) ester IUPAC Name: (2-acetyl-7-chloro-3-hydroxy-5,8-dimethoxynaphthalen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-acetyl-7-chloro-3-hydroxy-5,8-dimethoxy-1-naphthyl) ester Formula: C21H19ClO7S MolecularWeight: 450.88936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2C(=O)C)O)C(=CC(=C3OC)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2C(=O)C)O)C(=CC(=C3OC)Cl)OC

InChI

InChI=1S/C21H19ClO7S/c1-11-5-7-13(8-6-11)30(25,26)29-21-18(12(2)23)16(24)9-14-17(27-3)10-15(22)20(28-4)19(14)21/h5-10,24H,1-4H3