benzene-1,3-dicarboxylic acid; hexanedioic acid; 1-isocyanato-1-[(1-isocyanatocyclohexyl)methyl]cyclohexane; 1-oxidanylhexyl 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoate

Systemtic Name: benzene-1,3-dicarboxylic acid; hexanedioic acid; 1-isocyanato-1-[(1-isocyanatocyclohexyl)methyl]cyclohexane; 1-oxidanylhexyl 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoate Openeye Name: adipic acid; 1-hydroxyhexyl 3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoate; 1-isocyanato-1-[(1-isocyanatocyclohexyl)methyl]cyclohexane; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; hexanedioic acid; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid 1-hydroxyhexyl ester; 1-isocyanato-1-[(1-isocyanatocyclohexyl)methyl]cyclohexane IUPAC Name: benzene-1,3-dicarboxylic acid; hexanedioic acid; 1-hydroxyhexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate; 1-isocyanato-1-[(1-isocyanatocyclohexyl)methyl]cyclohexane Traditional Name: adipic acid; 3-hydroxy-2-methyl-2-methylol-propionic acid 1-hydroxyhexyl ester; 1-isocyanato-1-[(1-isocyanatocyclohexyl)methyl]cyclohexane; isophthalic acid Formula: C40H60N2O15 MolecularWeight: 808.9088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(O)OC(=O)C(C)(CO)CO.C1CCC(CC1)(CC2(CCCCC2)N=C=O)N=C=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCC(O)OC(=O)C(C)(CO)CO.C1CCC(CC1)(CC2(CCCCC2)N=C=O)N=C=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C15H22N2O2.C11H22O5.C8H6O4.C6H10O4/c18-12-16-14(7-3-1-4-8-14)11-15(17-13-19)9-5-2-6-10-15;1-3-4-5-6-9(14)16-10(15)11(2,7-12)8-13;9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10/h1-11H2;9,12-14H,3-8H2,1-2H3;1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10)