9-oxidanylidene-5,7-bis(pentylsulfanyl)xanthene-2-carboxylic acid

Systemtic Name: 9-oxidanylidene-5,7-bis(pentylsulfanyl)xanthene-2-carboxylic acid Openeye Name: 9-oxo-5,7-bis(pentylsulfanyl)xanthene-2-carboxylic acid CAS Name: 9-oxo-5,7-bis(pentylthio)-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-5,7-bis(pentylsulfanyl)xanthene-2-carboxylic acid Traditional Name: 5,7-bis(amylthio)-9-keto-xanthene-2-carboxylic acid Formula: C24H28O4S2 MolecularWeight: 444.60672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SCCCCC

Isomeric SMILES

CCCCCSC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SCCCCC

InChI

InChI=1S/C24H28O4S2/c1-3-5-7-11-29-17-14-19-22(25)18-13-16(24(26)27)9-10-20(18)28-23(19)21(15-17)30-12-8-6-4-2/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,26,27)