(7E,9E)-20-[3-(carboxymethyl)-4-methyl-5-oxidanyl-2-oxidanylidene-8-propyl-chromen-7-yl]sulfanylicosa-7,9-dienoic acid

Systemtic Name: (7E,9E)-20-[3-(carboxymethyl)-4-methyl-5-oxidanyl-2-oxidanylidene-8-propyl-chromen-7-yl]sulfanylicosa-7,9-dienoic acid Openeye Name: (7E,9E)-20-[3-(carboxymethyl)-5-hydroxy-4-methyl-2-oxo-8-propyl-chromen-7-yl]sulfanylicosa-7,9-dienoic acid CAS Name: (7E,9E)-20-[[3-(carboxymethyl)-5-hydroxy-4-methyl-2-oxo-8-propyl-1-benzopyran-7-yl]thio]eicosa-7,9-dienoic acid IUPAC Name: (7E,9E)-20-[3-(carboxymethyl)-5-hydroxy-4-methyl-2-oxo-8-propylchromen-7-yl]sulfanylicosa-7,9-dienoic acid Traditional Name: (7E,9E)-20-[[3-(carboxymethyl)-5-hydroxy-2-keto-4-methyl-8-propyl-chromen-7-yl]thio]eicosa-7,9-dienoic acid Formula: C35H50O7S MolecularWeight: 614.8323

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C2=C1OC(=O)C(=C2C)CC(=O)O)O)SCCCCCCCCCCC=CC=CCCCCCC(=O)O

Isomeric SMILES

CCCC1=C(C=C(C2=C1OC(=O)C(=C2C)CC(=O)O)O)SCCCCCCCCCC/C=C/C=C/CCCCCC(=O)O

InChI

InChI=1S/C35H50O7S/c1-3-21-27-30(25-29(36)33-26(2)28(24-32(39)40)35(41)42-34(27)33)43-23-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-22-31(37)38/h5,7,9,11,25,36H,3-4,6,8,10,12-24H2,1-2H3,(H,37,38)(H,39,40)/b7-5+,11-9+