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azepan-2-one; 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane; oxirane; propane-1,2,3-triol

azepan-2-one; 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane; oxirane; propane-1,2,3-triol

Systemtic Name:azepan-2-one; 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane; oxirane; propane-1,2,3-triol
Openeye Name:azepan-2-one; 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; glycerol; 2-methyloxirane; oxirane
CAS Name:2-azepanone; 1,3-diisocyanato-2-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane; oxirane; propane-1,2,3-triol
IUPAC Name:azepan-2-one; 1,3-diisocyanato-2-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane; oxirane; propane-1,2,3-triol
Traditional Name:azepan-2-one; 1,3-diisocyanato-2-methyl-benzene; ethylene oxide; 2-ethyl-2-methylol-propane-1,3-diol; glycerol; propylene oxide
Formula: C29H49N3O11
MolecularWeight: 615.71286
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O.C1CCC(=O)NCC1.C1CO1.C(C(CO)O)O


Isomeric SMILES

CCC(CO)(CO)CO.CC1CO1.CC1=C(C=CC=C1N=C=O)N=C=O.C1CCC(=O)NCC1.C1CO1.C(C(CO)O)O


InChI

InChI=1S/C9H6N2O2.C6H11NO.C6H14O3.C3H8O3.C3H6O.C2H4O/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;8-6-4-2-1-3-5-7-6;1-2-6(3-7,4-8)5-9;4-1-3(6)2-5;1-3-2-4-3;1-2-3-1/h2-4H,1H3;1-5H2,(H,7,8);7-9H,2-5H2,1H3;3-6H,1-2H2;3H,2H2,1H3;1-2H2


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