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

Systemtic Name: carbamodithioic acid; 6-[(4-propan-2-ylphenyl)methylamino]hexane-1,2,3,4,5-pentol Openeye Name: carbamodithioic acid; 6-[(4-isopropylphenyl)methylamino]hexane-1,2,3,4,5-pentol CAS Name: carbamodithioic acid; 6-[(4-propan-2-ylphenyl)methylamino]hexane-1,2,3,4,5-pentol IUPAC Name: carbamodithioic acid; 6-[(4-propan-2-ylphenyl)methylamino]hexane-1,2,3,4,5-pentol Traditional Name: carbamodithioic acid; 6-[(4-isopropylbenzyl)amino]hexane-1,2,3,4,5-pentol Formula: C17H30N2O5S2 MolecularWeight: 406.5605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO5.CH3NS2/c1-10(2)12-5-3-11(4-6-12)7-17-8-13(19)15(21)16(22)14(20)9-18;2-1(3)4/h3-6,10,13-22H,7-9H2,1-2H3;(H3,2,3,4)