2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 4-methylbenzenesulfonic acid

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 4-methylbenzenesulfonic acid Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 4-methylbenzenesulfonic acid CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 4-methylbenzenesulfonic acid IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 4-methylbenzenesulfonic acid Traditional Name: 2-ethyl-2-methylol-propane-1,3-diol; tosylic acid Formula: C27H38O12S3 MolecularWeight: 650.77842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C7H8O3S.C6H14O3/c3*1-6-2-4-7(5-3-6)11(8,9)10;1-2-6(3-7,4-8)5-9/h3*2-5H,1H3,(H,8,9,10);7-9H,2-5H2,1H3