(E)-7-[4-[2-[(2S,4S,5R)-4-(2-hydroxyphenyl)-5-[(Z)-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-1,3-dioxan-2-yl]ethoxy]phenyl]-7-pyridin-3-yl-hept-6-enoic acid

Systemtic Name: (E)-7-[4-[2-[(2S,4S,5R)-4-(2-hydroxyphenyl)-5-[(Z)-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-1,3-dioxan-2-yl]ethoxy]phenyl]-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (E)-7-[4-[2-[(2S,4S,5R)-5-[(Z)-6-hydroxy-6-oxo-hex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]ethoxy]phenyl]-7-(3-pyridyl)hept-6-enoic acid CAS Name: (E)-7-[4-[2-[(2S,4S,5R)-5-[(Z)-6-hydroxy-6-oxohex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]ethoxy]phenyl]-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (E)-7-[4-[2-[(2S,4S,5R)-5-[(Z)-6-hydroxy-6-oxohex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]ethoxy]phenyl]-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (E)-7-[4-[2-[(2S,4S,5R)-5-[(Z)-6-hydroxy-6-keto-hex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]ethoxy]phenyl]-7-(3-pyridyl)hept-6-enoic acid Formula: C36H41NO8 MolecularWeight: 615.71264

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC(O1)CCOC2=CC=C(C=C2)C(=CCCCCC(=O)O)C3=CN=CC=C3)C4=CC=CC=C4O)CC=CCCC(=O)O

Isomeric SMILES

C1[C@H]([C@H](O[C@H](O1)CCOC2=CC=C(C=C2)/C(=C\CCCCC(=O)O)/C3=CN=CC=C3)C4=CC=CC=C4O)C/C=C\CCC(=O)O

InChI

InChI=1S/C36H41NO8/c38-32-14-8-7-13-31(32)36-28(10-3-1-5-15-33(39)40)25-44-35(45-36)21-23-43-29-19-17-26(18-20-29)30(27-11-9-22-37-24-27)12-4-2-6-16-34(41)42/h1,3,7-9,11-14,17-20,22,24,28,35-36,38H,2,4-6,10,15-16,21,23,25H2,(H,39,40)(H,41,42)/b3-1-,30-12+/t28-,35+,36+/m1/s1