7-[(2R,5R)-5-carboxy-2-oxidanyl-nonyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid

Systemtic Name: 7-[(2R,5R)-5-carboxy-2-oxidanyl-nonyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 7-[(2R,5R)-5-carboxy-2-hydroxy-nonyl]sulfanyl-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 7-[[(2R,5R)-5-carboxy-2-hydroxynonyl]thio]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[(2R,5R)-5-carboxy-2-hydroxynonyl]sulfanyl-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: 7-[[(2R,5R)-5-carboxy-2-hydroxy-nonyl]thio]-4-keto-8-propyl-chromene-2-carboxylic acid Formula: C23H30O7S MolecularWeight: 450.5451

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(CSC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)O)CCC)O)C(=O)O

Isomeric SMILES

CCCC[C@H](CC[C@H](CSC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)O)CCC)O)C(=O)O

InChI

InChI=1S/C23H30O7S/c1-3-5-7-14(22(26)27)8-9-15(24)13-31-20-11-10-16-18(25)12-19(23(28)29)30-21(16)17(20)6-4-2/h10-12,14-15,24H,3-9,13H2,1-2H3,(H,26,27)(H,28,29)/t14-,15-/m1/s1