4-[(E,6R,7S)-7,11-bis(oxidanyl)-11-oxidanylidene-1-phenyl-undec-4-en-6-yl]sulfanylbenzoic acid

Systemtic Name: 4-[(E,6R,7S)-7,11-bis(oxidanyl)-11-oxidanylidene-1-phenyl-undec-4-en-6-yl]sulfanylbenzoic acid Openeye Name: 4-[(E,1R)-1-[(1S)-1,5-dihydroxy-5-oxo-pentyl]-6-phenyl-hex-2-enyl]sulfanylbenzoic acid CAS Name: 4-[[(E,6R,7S)-7,11-dihydroxy-11-oxo-1-phenylundec-4-en-6-yl]thio]benzoic acid IUPAC Name: 4-[(E,6R,7S)-7,11-dihydroxy-11-oxo-1-phenylundec-4-en-6-yl]sulfanylbenzoic acid Traditional Name: 4-[[(E,1R)-1-[(1S)-1,5-dihydroxy-5-keto-pentyl]-6-phenyl-hex-2-enyl]thio]benzoic acid Formula: C24H28O5S MolecularWeight: 428.54112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28O5S/c25-21(11-7-13-23(26)27)22(30-20-16-14-19(15-17-20)24(28)29)12-6-2-5-10-18-8-3-1-4-9-18/h1,3-4,6,8-9,12,14-17,21-22,25H,2,5,7,10-11,13H2,(H,26,27)(H,28,29)/b12-6+/t21-,22+/m0/s1