5-octoxy-9-oxidanylidene-7-propan-2-ylsulfinyl-xanthene-2-carboxylic acid

Systemtic Name: 5-octoxy-9-oxidanylidene-7-propan-2-ylsulfinyl-xanthene-2-carboxylic acid Openeye Name: 7-isopropylsulfinyl-5-octoxy-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-octoxy-9-oxo-7-propan-2-ylsulfinyl-2-xanthenecarboxylic acid IUPAC Name: 5-octoxy-9-oxo-7-propan-2-ylsulfinylxanthene-2-carboxylic acid Traditional Name: 7-isopropylsulfinyl-9-keto-5-octoxy-xanthene-2-carboxylic acid Formula: C25H30O6S MolecularWeight: 458.5671

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C2C(=CC(=C1)S(=O)C(C)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=C2C(=CC(=C1)S(=O)C(C)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C25H30O6S/c1-4-5-6-7-8-9-12-30-22-15-18(32(29)16(2)3)14-20-23(26)19-13-17(25(27)28)10-11-21(19)31-24(20)22/h10-11,13-16H,4-9,12H2,1-3H3,(H,27,28)