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

Systemtic Name: (7-chloranyl-2-ethanoyl-3,5,8-trimethoxy-naphthalen-1-yl) 4-methylbenzenesulfonate Openeye Name: (2-acetyl-7-chloro-3,5,8-trimethoxy-1-naphthyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-acetyl-7-chloro-3,5,8-trimethoxy-1-naphthalenyl) ester IUPAC Name: (2-acetyl-7-chloro-3,5,8-trimethoxynaphthalen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-acetyl-7-chloro-3,5,8-trimethoxy-1-naphthyl) ester Formula: C22H21ClO7S MolecularWeight: 464.91594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClO7S/c1-12-6-8-14(9-7-12)31(25,26)30-22-19(13(2)24)18(28-4)10-15-17(27-3)11-16(23)21(29-5)20(15)22/h6-11H,1-5H3