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

Systemtic Name: 7-octyl-9-oxidanylidene-5-propan-2-ylsulfonyl-xanthene-2-carboxylic acid Openeye Name: 5-isopropylsulfonyl-7-octyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-octyl-9-oxo-5-propan-2-ylsulfonyl-2-xanthenecarboxylic acid IUPAC Name: 7-octyl-9-oxo-5-propan-2-ylsulfonylxanthene-2-carboxylic acid Traditional Name: 5-isopropylsulfonyl-9-keto-7-octyl-xanthene-2-carboxylic acid Formula: C25H30O6S MolecularWeight: 458.5671

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)C(C)C

Isomeric SMILES

CCCCCCCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)C(C)C

InChI

InChI=1S/C25H30O6S/c1-4-5-6-7-8-9-10-17-13-20-23(26)19-15-18(25(27)28)11-12-21(19)31-24(20)22(14-17)32(29,30)16(2)3/h11-16H,4-10H2,1-3H3,(H,27,28)