O1-hexyl O4-(1-oxidanylpropyl) (E)-but-2-enedioate

Systemtic Name: O1-hexyl O4-(1-oxidanylpropyl) (E)-but-2-enedioate Openeye Name: O1-hexyl O4-(1-hydroxypropyl) (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-hexyl ester O4-(1-hydroxypropyl) ester IUPAC Name: 1-O-hexyl 4-O-(1-hydroxypropyl) (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-hexyl ester O4-(1-hydroxypropyl) ester Formula: C13H22O5 MolecularWeight: 258.31078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C=CC(=O)OC(CC)O

Isomeric SMILES

CCCCCCOC(=O)/C=C/C(=O)OC(CC)O

InChI

InChI=1S/C13H22O5/c1-3-5-6-7-10-17-12(15)8-9-13(16)18-11(14)4-2/h8-9,11,14H,3-7,10H2,1-2H3/b9-8+