4-oxidanylidene-7-[(E)-5-oxidanylpentadec-7-en-6-yl]sulfanyl-chromene-2-carboxylic acid

Systemtic Name: 4-oxidanylidene-7-[(E)-5-oxidanylpentadec-7-en-6-yl]sulfanyl-chromene-2-carboxylic acid Openeye Name: 7-[(E)-1-(1-hydroxypentyl)dec-2-enyl]sulfanyl-4-oxo-chromene-2-carboxylic acid CAS Name: 7-[[(E)-5-hydroxypentadec-7-en-6-yl]thio]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[(E)-5-hydroxypentadec-7-en-6-yl]sulfanyl-4-oxochromene-2-carboxylic acid Traditional Name: 7-[[(E)-1-(1-hydroxypentyl)dec-2-enyl]thio]-4-keto-chromene-2-carboxylic acid Formula: C25H34O5S MolecularWeight: 446.59946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CC(C(CCCC)O)SC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)O

Isomeric SMILES

CCCCCCC/C=C/C(C(CCCC)O)SC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)O

InChI

InChI=1S/C25H34O5S/c1-3-5-7-8-9-10-11-13-24(20(26)12-6-4-2)31-18-14-15-19-21(27)17-23(25(28)29)30-22(19)16-18/h11,13-17,20,24,26H,3-10,12H2,1-2H3,(H,28,29)/b13-11+