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

Systemtic Name: 5-dodecoxy-7-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-dodecoxy-7-methylsulfonyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-dodecoxy-7-methylsulfonyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-dodecoxy-7-methylsulfonyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-5-lauryloxy-7-mesyl-xanthene-2-carboxylic acid Formula: C27H34O7S MolecularWeight: 502.61966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34O7S/c1-3-4-5-6-7-8-9-10-11-12-15-33-24-18-20(35(2,31)32)17-22-25(28)21-16-19(27(29)30)13-14-23(21)34-26(22)24/h13-14,16-18H,3-12,15H2,1-2H3,(H,29,30)