carbamodithioic acid; 6-[(4-methylphenyl)methylamino]hexane-1,2,3,4,5-pentol

Systemtic Name: carbamodithioic acid; 6-[(4-methylphenyl)methylamino]hexane-1,2,3,4,5-pentol Openeye Name: carbamodithioic acid; 6-(p-tolylmethylamino)hexane-1,2,3,4,5-pentol CAS Name: carbamodithioic acid; 6-[(4-methylphenyl)methylamino]hexane-1,2,3,4,5-pentol IUPAC Name: carbamodithioic acid; 6-[(4-methylphenyl)methylamino]hexane-1,2,3,4,5-pentol Traditional Name: carbamodithioic acid; 6-[(4-methylbenzyl)amino]hexane-1,2,3,4,5-pentol Formula: C15H26N2O5S2 MolecularWeight: 378.50734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO5.CH3NS2/c1-9-2-4-10(5-3-9)6-15-7-11(17)13(19)14(20)12(18)8-16;2-1(3)4/h2-5,11-20H,6-8H2,1H3;(H3,2,3,4)