(E)-17-(4,5-dihydro-1,3-oxazol-2-yl)heptadec-8-en-6-ol; terephthalic acid

Systemtic Name: (E)-17-(4,5-dihydro-1,3-oxazol-2-yl)heptadec-8-en-6-ol; terephthalic acid Openeye Name: (E)-17-(4,5-dihydrooxazol-2-yl)heptadec-8-en-6-ol; terephthalic acid CAS Name: (E)-17-(4,5-dihydrooxazol-2-yl)-8-heptadecen-6-ol; terephthalic acid IUPAC Name: (E)-17-(4,5-dihydro-1,3-oxazol-2-yl)heptadec-8-en-6-ol; terephthalic acid Traditional Name: (E)-17-(2-oxazolin-2-yl)heptadec-8-en-6-ol; terephthalic acid Formula: C48H80N2O8 MolecularWeight: 813.1574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC=CCCCCCCCCC1=NCCO1)O.CCCCCC(CC=CCCCCCCCCC1=NCCO1)O.C1=CC(=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CCCCCC(O)C/C=C/CCCCCCCCC1=NCCO1.CCCCCC(O)C/C=C/CCCCCCCCC1=NCCO1.C1=CC(=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/2C20H37NO2.C8H6O4/c2*1-2-3-11-14-19(22)15-12-9-7-5-4-6-8-10-13-16-20-21-17-18-23-20;9-7(10)5-1-2-6(4-3-5)8(11)12/h2*9,12,19,22H,2-8,10-11,13-18H2,1H3;1-4H,(H,9,10)(H,11,12)/b2*12-9+;