hexane-1,2,3,4,5,6-hexol; 4-methylbenzenesulfonic acid; phenylmethanediol

Systemtic Name: hexane-1,2,3,4,5,6-hexol; 4-methylbenzenesulfonic acid; phenylmethanediol Openeye Name: hexane-1,2,3,4,5,6-hexol; 4-methylbenzenesulfonic acid; phenylmethanediol CAS Name: hexane-1,2,3,4,5,6-hexol; 4-methylbenzenesulfonic acid; phenylmethanediol IUPAC Name: hexane-1,2,3,4,5,6-hexol; 4-methylbenzenesulfonic acid; phenylmethanediol Traditional Name: hexane-1,2,3,4,5,6-hexol; phenylmethanediol; tosylic acid Formula: C20H30O11S MolecularWeight: 478.5106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C7H8O2.C6H14O6/c1-6-2-4-7(5-3-6)11(8,9)10;8-7(9)6-4-2-1-3-5-6;7-1-3(9)5(11)6(12)4(10)2-8/h2-5H,1H3,(H,8,9,10);1-5,7-9H;3-12H,1-2H2