2-phenylpropane-1,2-diol; N,2,5-trimethylbenzenesulfonamide

Systemtic Name: 2-phenylpropane-1,2-diol; N,2,5-trimethylbenzenesulfonamide Openeye Name: 2-phenylpropane-1,2-diol; N,2,5-trimethylbenzenesulfonamide CAS Name: 2-phenylpropane-1,2-diol; N,2,5-trimethylbenzenesulfonamide IUPAC Name: 2-phenylpropane-1,2-diol; N,2,5-trimethylbenzenesulfonamide Traditional Name: 2-phenylpropane-1,2-diol; N,2,5-trimethylbenzenesulfonamide Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC.CC(CO)(C1=CC=CC=C1)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC.CC(CO)(C1=CC=CC=C1)O

InChI

InChI=1S/C9H13NO2S.C9H12O2/c1-7-4-5-8(2)9(6-7)13(11,12)10-3;1-9(11,7-10)8-5-3-2-4-6-8/h4-6,10H,1-3H3;2-6,10-11H,7H2,1H3