1-dodecoxy-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 1-dodecoxy-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 1-dodecoxy-7-methylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 1-dodecoxy-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 1-dodecoxy-7-methylsulfanyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-1-lauryloxy-7-(methylthio)xanthene-2-carboxylic acid Formula: C27H34O5S MolecularWeight: 470.62086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CC2=C1C(=O)C3=C(O2)C=CC(=C3)SC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CC2=C1C(=O)C3=C(O2)C=CC(=C3)SC)C(=O)O

InChI

InChI=1S/C27H34O5S/c1-3-4-5-6-7-8-9-10-11-12-17-31-26-20(27(29)30)14-16-23-24(26)25(28)21-18-19(33-2)13-15-22(21)32-23/h13-16,18H,3-12,17H2,1-2H3,(H,29,30)