4-[(Z,5S,6R)-1,5-bis(oxidanyl)-1-oxidanylidene-17-phenoxy-heptadec-7-en-6-yl]sulfanylbenzoic acid

Systemtic Name: 4-[(Z,5S,6R)-1,5-bis(oxidanyl)-1-oxidanylidene-17-phenoxy-heptadec-7-en-6-yl]sulfanylbenzoic acid Openeye Name: 4-[(Z,1R)-1-[(1S)-1,5-dihydroxy-5-oxo-pentyl]-12-phenoxy-dodec-2-enyl]sulfanylbenzoic acid CAS Name: 4-[[(Z,5S,6R)-1,5-dihydroxy-1-oxo-17-phenoxyheptadec-7-en-6-yl]thio]benzoic acid IUPAC Name: 4-[(Z,5S,6R)-1,5-dihydroxy-1-oxo-17-phenoxyheptadec-7-en-6-yl]sulfanylbenzoic acid Traditional Name: 4-[[(Z,1R)-1-[(1S)-1,5-dihydroxy-5-keto-pentyl]-12-phenoxy-dodec-2-enyl]thio]benzoic acid Formula: C30H40O6S MolecularWeight: 528.7

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCCCCCCC=CC(C(CCCC(=O)O)O)SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCCCCCC/C=C\[C@H]([C@H](CCCC(=O)O)O)SC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C30H40O6S/c31-27(16-13-18-29(32)33)28(37-26-21-19-24(20-22-26)30(34)35)17-11-6-4-2-1-3-5-7-12-23-36-25-14-9-8-10-15-25/h8-11,14-15,17,19-22,27-28,31H,1-7,12-13,16,18,23H2,(H,32,33)(H,34,35)/b17-11-/t27-,28+/m0/s1