1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-(2-hydroxyethyloxy)ethanol; phenol

Systemtic Name: 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-(2-hydroxyethyloxy)ethanol; phenol Openeye Name: 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-(2-hydroxyethoxy)ethanol; phenol CAS Name: 1,3-diisocyanato-2-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-(2-hydroxyethoxy)ethanol; phenol IUPAC Name: 1,3-diisocyanato-2-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-(2-hydroxyethoxy)ethanol; phenol Traditional Name: 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-methylol-propane-1,3-diol; 2-(2-hydroxyethoxy)ethanol; phenol Formula: C25H36N2O9 MolecularWeight: 508.56134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CC1=C(C=CC=C1N=C=O)N=C=O.C1=CC=C(C=C1)O.C(COCCO)O

Isomeric SMILES

CCC(CO)(CO)CO.CC1=C(C=CC=C1N=C=O)N=C=O.C1=CC=C(C=C1)O.C(COCCO)O

InChI

InChI=1S/C9H6N2O2.C6H14O3.C6H6O.C4H10O3/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;1-2-6(3-7,4-8)5-9;7-6-4-2-1-3-5-6;5-1-3-7-4-2-6/h2-4H,1H3;7-9H,2-5H2,1H3;1-5,7H;5-6H,1-4H2