(2-ethanoyl-3-oxidanylidene-phenalen-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-ethanoyl-3-oxidanylidene-phenalen-1-yl) 4-methylbenzenesulfonate Openeye Name: (2-acetyl-3-oxo-phenalen-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-acetyl-3-oxo-1-phenalenyl) ester IUPAC Name: (2-acetyl-3-oxophenalen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-acetyl-3-keto-phenalen-1-yl) ester Formula: C22H16O5S MolecularWeight: 392.42444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)C3=CC=CC4=C3C2=CC=C4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)C3=CC=CC4=C3C2=CC=C4)C(=O)C

InChI

InChI=1S/C22H16O5S/c1-13-9-11-16(12-10-13)28(25,26)27-22-18-8-4-6-15-5-3-7-17(20(15)18)21(24)19(22)14(2)23/h3-12H,1-2H3