O1-hexyl O4-(phenylmethyl) (E)-but-2-enedioate

Systemtic Name: O1-hexyl O4-(phenylmethyl) (E)-but-2-enedioate Openeye Name: O4-benzyl O1-hexyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-hexyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-hexyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-benzyl ester O1-hexyl ester Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C=CC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCOC(=O)/C=C/C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H22O4/c1-2-3-4-8-13-20-16(18)11-12-17(19)21-14-15-9-6-5-7-10-15/h5-7,9-12H,2-4,8,13-14H2,1H3/b12-11+