(E)-4-(3-heptyl-4-octadecoxy-phenyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(3-heptyl-4-octadecoxy-phenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(3-heptyl-4-octadecoxy-phenyl)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(3-heptyl-4-octadecoxyphenyl)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(3-heptyl-4-octadecoxyphenyl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(3-heptyl-4-stearyloxy-phenyl)-4-keto-but-2-enoic acid Formula: C35H58O4 MolecularWeight: 542.83262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C=CC(=O)O)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)/C=C/C(=O)O)CCCCCCC

InChI

InChI=1S/C35H58O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-29-39-34-27-25-31(33(36)26-28-35(37)38)30-32(34)24-22-20-8-6-4-2/h25-28,30H,3-24,29H2,1-2H3,(H,37,38)/b28-26+