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1,3-bis(isocyanatomethyl)benzene; ethane-1,2-diol; hexanedioic acid

1,3-bis(isocyanatomethyl)benzene; ethane-1,2-diol; hexanedioic acid

Systemtic Name:1,3-bis(isocyanatomethyl)benzene; ethane-1,2-diol; hexanedioic acid
Openeye Name:adipic acid; 1,3-bis(isocyanatomethyl)benzene; ethylene glycol
CAS Name:1,3-bis(isocyanatomethyl)benzene; ethane-1,2-diol; hexanedioic acid
IUPAC Name:1,3-bis(isocyanatomethyl)benzene; ethane-1,2-diol; hexanedioic acid
Traditional Name:adipic acid; 1,3-bis(isocyanatomethyl)benzene; ethylene glycol
Formula: C18H24N2O8
MolecularWeight: 396.39176
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN=C=O)CN=C=O.C(CCC(=O)O)CC(=O)O.C(CO)O


Isomeric SMILES

C1=CC(=CC(=C1)CN=C=O)CN=C=O.C(CCC(=O)O)CC(=O)O.C(CO)O


InChI

InChI=1S/C10H8N2O2.C6H10O4.C2H6O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14;7-5(8)3-1-2-4-6(9)10;3-1-2-4/h1-4H,5-6H2;1-4H2,(H,7,8)(H,9,10);3-4H,1-2H2


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