[7-chloranyl-2-ethanoyl-3-methoxy-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [7-chloranyl-2-ethanoyl-3-methoxy-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-methylbenzenesulfonate Openeye Name: (2-acetyl-7-chloro-3-methoxy-5,8-dioxo-1-naphthyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-acetyl-7-chloro-3-methoxy-5,8-dioxo-1-naphthalenyl) ester IUPAC Name: (2-acetyl-7-chloro-3-methoxy-5,8-dioxonaphthalen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-acetyl-7-chloro-5,8-diketo-3-methoxy-1-naphthyl) ester Formula: C20H15ClO7S MolecularWeight: 434.8469

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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(=O)C=C(C3=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2C(=O)C)OC)C(=O)C=C(C3=O)Cl

InChI

InChI=1S/C20H15ClO7S/c1-10-4-6-12(7-5-10)29(25,26)28-20-17(11(2)22)16(27-3)8-13-15(23)9-14(21)19(24)18(13)20/h4-9H,1-3H3