5-(2-oxidanylpropoxy)-8-propyl-4-sulfanylidene-chromene-2-carboxylic acid

Systemtic Name: 5-(2-oxidanylpropoxy)-8-propyl-4-sulfanylidene-chromene-2-carboxylic acid Openeye Name: 5-(2-hydroxypropoxy)-8-propyl-4-thioxo-chromene-2-carboxylic acid CAS Name: 5-(2-hydroxypropoxy)-8-propyl-4-sulfanylidene-1-benzopyran-2-carboxylic acid IUPAC Name: 5-(2-hydroxypropoxy)-8-propyl-4-sulfanylidenechromene-2-carboxylic acid Traditional Name: 5-(2-hydroxypropoxy)-8-propyl-4-thioxo-chromene-2-carboxylic acid Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=C(C=C1)OCC(C)O)C(=S)C=C(O2)C(=O)O

Isomeric SMILES

CCCC1=C2C(=C(C=C1)OCC(C)O)C(=S)C=C(O2)C(=O)O

InChI

InChI=1S/C16H18O5S/c1-3-4-10-5-6-11(20-8-9(2)17)14-13(22)7-12(16(18)19)21-15(10)14/h5-7,9,17H,3-4,8H2,1-2H3,(H,18,19)