hexanedioic acid; 2-methyloxirane; 3-(3-oxidanylpropoxy)propan-1-ol; oxirane; hydrate

Systemtic Name: hexanedioic acid; 2-methyloxirane; 3-(3-oxidanylpropoxy)propan-1-ol; oxirane; hydrate Openeye Name: adipic acid; 3-(3-hydroxypropoxy)propan-1-ol; 2-methyloxirane; oxirane; hydrate CAS Name: hexanedioic acid; 3-(3-hydroxypropoxy)-1-propanol; 2-methyloxirane; oxirane; hydrate IUPAC Name: hexanedioic acid; 3-(3-hydroxypropoxy)propan-1-ol; 2-methyloxirane; oxirane; hydrate Traditional Name: adipic acid; ethylene oxide; 3-(3-hydroxypropoxy)propan-1-ol; propylene oxide; hydrate Formula: C19H40O11 MolecularWeight: 444.5143

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Descriptors Computed from Structure

Canonical SMILES:

CC1CO1.C1CO1.C1CO1.C(CCC(=O)O)CC(=O)O.C(CO)COCCCO.O

Isomeric SMILES

CC1CO1.C1CO1.C1CO1.C(CCC(=O)O)CC(=O)O.C(CO)COCCCO.O

InChI

InChI=1S/C6H10O4.C6H14O3.C3H6O.2C2H4O.H2O/c7-5(8)3-1-2-4-6(9)10;7-3-1-5-9-6-2-4-8;1-3-2-4-3;2*1-2-3-1;/h1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2;3H,2H2,1H3;2*1-2H2;1H2