butane-1,4-diol; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene; nonanedioic acid

Systemtic Name: butane-1,4-diol; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene; nonanedioic acid Openeye Name: butane-1,4-diol; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene; nonanedioic acid CAS Name: butane-1,4-diol; 5-isocyanato-5-[(1-isocyanato-1-cyclohexa-2,4-dienyl)methyl]cyclohexa-1,3-diene; nonanedioic acid IUPAC Name: butane-1,4-diol; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene; nonanedioic acid Traditional Name: azelaic acid; butane-1,4-diol; 5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene Formula: C28H40N2O8 MolecularWeight: 532.6258

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1(CC2(CC=CC=C2)N=C=O)N=C=O.C(CCCC(=O)O)CCCC(=O)O.C(CCO)CO

Isomeric SMILES

C1C=CC=CC1(CC2(CC=CC=C2)N=C=O)N=C=O.C(CCCC(=O)O)CCCC(=O)O.C(CCO)CO

InChI

InChI=1S/C15H14N2O2.C9H16O4.C4H10O2/c18-12-16-14(7-3-1-4-8-14)11-15(17-13-19)9-5-2-6-10-15;10-8(11)6-4-2-1-3-5-7-9(12)13;5-3-1-2-4-6/h1-7,9H,8,10-11H2;1-7H2,(H,10,11)(H,12,13);5-6H,1-4H2