(Z)-7-[(1S,2S,3S,5R)-2-[(E,3S)-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid; sodium

Systemtic Name: (Z)-7-[(1S,2S,3S,5R)-2-[(E,3S)-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid; sodium Openeye Name: (Z)-7-[(1S,2S,3S,5R)-2-[(E,3S)-4-(3-chlorophenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid; sodium CAS Name: (Z)-7-[(1S,2S,3S,5R)-2-[(E,3S)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid; sodium IUPAC Name: (Z)-7-[(1S,2S,3S,5R)-2-[(E,3S)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid; sodium Traditional Name: (Z)-7-[(1S,2S,3S,5R)-2-[(E,3S)-4-(3-chlorophenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid; sodium Formula: C22H29ClNaO6 MolecularWeight: 447.90483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)O)O.[Na]

Isomeric SMILES

C1[C@H]([C@H]([C@@H]([C@H]1O)/C=C/[C@@H](COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)O)O.[Na]

InChI

InChI=1S/C22H29ClO6.Na/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28;/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28);/b3-1-,11-10+;/t16-,18-,19-,20+,21-;/m0./s1