1,2-bis[2-(2-methoxyethoxy)ethyl]-9-oxidanylidene-thioxanthene-3,4-dicarboxylic acid

Systemtic Name: 1,2-bis[2-(2-methoxyethoxy)ethyl]-9-oxidanylidene-thioxanthene-3,4-dicarboxylic acid Openeye Name: 1,2-bis[2-(2-methoxyethoxy)ethyl]-9-oxo-thioxanthene-3,4-dicarboxylic acid CAS Name: 1,2-bis[2-(2-methoxyethoxy)ethyl]-9-oxothioxanthene-3,4-dicarboxylic acid IUPAC Name: 1,2-bis[2-(2-methoxyethoxy)ethyl]-9-oxothioxanthene-3,4-dicarboxylic acid Traditional Name: 9-keto-1,2-bis[2-(2-methoxyethoxy)ethyl]thioxanthene-3,4-dicarboxylic acid Formula: C25H28O9S MolecularWeight: 504.54942

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCCC1=C2C(=C(C(=C1CCOCCOC)C(=O)O)C(=O)O)SC3=CC=CC=C3C2=O

Isomeric SMILES

COCCOCCC1=C2C(=C(C(=C1CCOCCOC)C(=O)O)C(=O)O)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C25H28O9S/c1-31-11-13-33-9-7-15-16(8-10-34-14-12-32-2)20-22(26)17-5-3-4-6-18(17)35-23(20)21(25(29)30)19(15)24(27)28/h3-6H,7-14H2,1-2H3,(H,27,28)(H,29,30)