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(5S,6R,7E,9E)-5,6-bis(oxidanyl)-12-phenyl-dodeca-7,9-dien-11-ynoic acid

(5S,6R,7E,9E)-5,6-bis(oxidanyl)-12-phenyl-dodeca-7,9-dien-11-ynoic acid

Systemtic Name:(5S,6R,7E,9E)-5,6-bis(oxidanyl)-12-phenyl-dodeca-7,9-dien-11-ynoic acid
Openeye Name:(5S,6R,7E,9E)-5,6-dihydroxy-12-phenyl-dodeca-7,9-dien-11-ynoic acid
CAS Name:(5S,6R,7E,9E)-5,6-dihydroxy-12-phenyldodeca-7,9-dien-11-ynoic acid
IUPAC Name:(5S,6R,7E,9E)-5,6-dihydroxy-12-phenyldodeca-7,9-dien-11-ynoic acid
Traditional Name:(5S,6R,7E,9E)-5,6-dihydroxy-12-phenyl-dodeca-7,9-dien-11-ynoic acid
Formula: C18H20O4
MolecularWeight: 300.349
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC=CC=CC(C(CCCC(=O)O)O)O


Isomeric SMILES

C1=CC=C(C=C1)C#C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)O


InChI

InChI=1S/C18H20O4/c19-16(17(20)13-8-14-18(21)22)12-7-2-1-4-9-15-10-5-3-6-11-15/h1-3,5-7,10-12,16-17,19-20H,8,13-14H2,(H,21,22)/b2-1+,12-7+/t16-,17+/m1/s1


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