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

Systemtic Name: 7-octoxy-9-oxidanylidene-5-propan-2-ylsulfonyl-xanthene-2-carboxylic acid Openeye Name: 5-isopropylsulfonyl-7-octoxy-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-octoxy-9-oxo-5-propan-2-ylsulfonyl-2-xanthenecarboxylic acid IUPAC Name: 7-octoxy-9-oxo-5-propan-2-ylsulfonylxanthene-2-carboxylic acid Traditional Name: 5-isopropylsulfonyl-9-keto-7-octoxy-xanthene-2-carboxylic acid Formula: C25H30O7S MolecularWeight: 474.5665

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30O7S/c1-4-5-6-7-8-9-12-31-18-14-20-23(26)19-13-17(25(27)28)10-11-21(19)32-24(20)22(15-18)33(29,30)16(2)3/h10-11,13-16H,4-9,12H2,1-3H3,(H,27,28)