1-[2-(hydroxymethyl)phenyl]-2-oxidanyl-2-phenyl-ethanone; octane-1-sulfonate

Systemtic Name: 1-[2-(hydroxymethyl)phenyl]-2-oxidanyl-2-phenyl-ethanone; octane-1-sulfonate Openeye Name: 2-hydroxy-1-[2-(hydroxymethyl)phenyl]-2-phenyl-ethanone; octane-1-sulfonate CAS Name: 2-hydroxy-1-[2-(hydroxymethyl)phenyl]-2-phenylethanone; 1-octanesulfonate IUPAC Name: 2-hydroxy-1-[2-(hydroxymethyl)phenyl]-2-phenylethanone; octane-1-sulfonate Traditional Name: 2-hydroxy-1-(2-methylolphenyl)-2-phenyl-ethanone; octane-1-sulfonate Formula: C23H31O6S- MolecularWeight: 435.55364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[O-].C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2CO)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)[O-].C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2CO)O

InChI

InChI=1S/C15H14O3.C8H18O3S/c16-10-12-8-4-5-9-13(12)15(18)14(17)11-6-2-1-3-7-11;1-2-3-4-5-6-7-8-12(9,10)11/h1-9,14,16-17H,10H2;2-8H2,1H3,(H,9,10,11)/p-1