9-oxidanylidene-1,5-dipropyl-7-propylsulfanyl-xanthene-2-carboxylic acid

Systemtic Name: 9-oxidanylidene-1,5-dipropyl-7-propylsulfanyl-xanthene-2-carboxylic acid Openeye Name: 9-oxo-1,5-dipropyl-7-propylsulfanyl-xanthene-2-carboxylic acid CAS Name: 9-oxo-1,5-dipropyl-7-(propylthio)-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-1,5-dipropyl-7-propylsulfanylxanthene-2-carboxylic acid Traditional Name: 9-keto-1,5-dipropyl-7-(propylthio)xanthene-2-carboxylic acid Formula: C23H26O4S MolecularWeight: 398.51514

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1)SCCC)C(=O)C3=C(O2)C=CC(=C3CCC)C(=O)O

Isomeric SMILES

CCCC1=C2C(=CC(=C1)SCCC)C(=O)C3=C(O2)C=CC(=C3CCC)C(=O)O

InChI

InChI=1S/C23H26O4S/c1-4-7-14-12-15(28-11-6-3)13-18-21(24)20-16(8-5-2)17(23(25)26)9-10-19(20)27-22(14)18/h9-10,12-13H,4-8,11H2,1-3H3,(H,25,26)