bis(8-methylnonyl) (E)-2-(1,2,4-triazol-1-yl)but-2-enedioate

Systemtic Name: bis(8-methylnonyl) (E)-2-(1,2,4-triazol-1-yl)but-2-enedioate Openeye Name: bis(8-methylnonyl) (E)-2-(1,2,4-triazol-1-yl)but-2-enedioate CAS Name: (E)-2-(1,2,4-triazol-1-yl)-2-butenedioic acid bis(8-methylnonyl) ester IUPAC Name: bis(8-methylnonyl) (E)-2-(1,2,4-triazol-1-yl)but-2-enedioate Traditional Name: (E)-2-(1,2,4-triazol-1-yl)but-2-enedioic acid bis(8-methylnonyl) ester Formula: C26H45N3O4 MolecularWeight: 463.6532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCOC(=O)C=C(C(=O)OCCCCCCCC(C)C)N1C=NC=N1

Isomeric SMILES

CC(C)CCCCCCCOC(=O)/C=C(\C(=O)OCCCCCCCC(C)C)/N1C=NC=N1

InChI

InChI=1S/C26H45N3O4/c1-22(2)15-11-7-5-9-13-17-32-25(30)19-24(29-21-27-20-28-29)26(31)33-18-14-10-6-8-12-16-23(3)4/h19-23H,5-18H2,1-4H3/b24-19+