2-benzofuran-1,3-dione; butane-1,3-diol; hexanedioic acid; octadecanoic acid; propane-1,2-diol

Systemtic Name: 2-benzofuran-1,3-dione; butane-1,3-diol; hexanedioic acid; octadecanoic acid; propane-1,2-diol Openeye Name: adipic acid; butane-1,3-diol; isobenzofuran-1,3-dione; propane-1,2-diol; stearic acid CAS Name: butane-1,3-diol; hexanedioic acid; isobenzofuran-1,3-dione; octadecanoic acid; propane-1,2-diol IUPAC Name: 2-benzofuran-1,3-dione; butane-1,3-diol; hexanedioic acid; octadecanoic acid; propane-1,2-diol Traditional Name: adipic acid; butane-1,3-diol; phthalic anhydride; propane-1,2-diol; stearic acid Formula: C39H68O13 MolecularWeight: 744.94942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.CC(CCO)O.CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.CC(CCO)O.CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C18H36O2.C8H4O3.C6H10O4.C4H10O2.C3H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;9-7-5-3-1-2-4-6(5)8(10)11-7;7-5(8)3-1-2-4-6(9)10;1-4(6)2-3-5;1-3(5)2-4/h2-17H2,1H3,(H,19,20);1-4H;1-4H2,(H,7,8)(H,9,10);4-6H,2-3H2,1H3;3-5H,2H2,1H3