4-oxidanylidene-7-[(E)-1,1,1-tris(fluoranyl)-4-oxidanyl-icos-6-en-5-yl]sulfanyl-chromene-2-carboxylic acid

Systemtic Name: 4-oxidanylidene-7-[(E)-1,1,1-tris(fluoranyl)-4-oxidanyl-icos-6-en-5-yl]sulfanyl-chromene-2-carboxylic acid Openeye Name: 4-oxo-7-[(E)-1-(4,4,4-trifluoro-1-hydroxy-butyl)hexadec-2-enyl]sulfanyl-chromene-2-carboxylic acid CAS Name: 4-oxo-7-[[(E)-1,1,1-trifluoro-4-hydroxyeicos-6-en-5-yl]thio]-1-benzopyran-2-carboxylic acid IUPAC Name: 4-oxo-7-[(E)-1,1,1-trifluoro-4-hydroxyicos-6-en-5-yl]sulfanylchromene-2-carboxylic acid Traditional Name: 4-keto-7-[[(E)-1-(4,4,4-trifluoro-1-hydroxy-butyl)hexadec-2-enyl]thio]chromene-2-carboxylic acid Formula: C30H41F3O5S MolecularWeight: 570.70375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CCC(F)(F)F)O)SC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CCC(F)(F)F)O)SC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)O

InChI

InChI=1S/C30H41F3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28(24(34)18-19-30(31,32)33)39-22-16-17-23-25(35)21-27(29(36)37)38-26(23)20-22/h14-17,20-21,24,28,34H,2-13,18-19H2,1H3,(H,36,37)/b15-14+