7-dodecoxy-5-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 7-dodecoxy-5-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-dodecoxy-5-methylsulfinyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-dodecoxy-5-methylsulfinyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-dodecoxy-5-methylsulfinyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-7-lauryloxy-5-methylsulfinyl-xanthene-2-carboxylic acid Formula: C27H34O6S MolecularWeight: 486.62026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)C

InChI

InChI=1S/C27H34O6S/c1-3-4-5-6-7-8-9-10-11-12-15-32-20-17-22-25(28)21-16-19(27(29)30)13-14-23(21)33-26(22)24(18-20)34(2)31/h13-14,16-18H,3-12,15H2,1-2H3,(H,29,30)