3-[6-(3-carboxy-5-sulfo-phenyl)carbonyloxyhexoxycarbonyl]-5-sulfo-benzoate

Systemtic Name: 3-[6-(3-carboxy-5-sulfo-phenyl)carbonyloxyhexoxycarbonyl]-5-sulfo-benzoate Openeye Name: 3-[6-(3-carboxy-5-sulfo-benzoyl)oxyhexoxycarbonyl]-5-sulfo-benzoate CAS Name: 3-[6-[(3-carboxy-5-sulfophenyl)-oxomethoxy]hexoxy-oxomethyl]-5-sulfobenzoate IUPAC Name: 3-[6-(3-carboxy-5-sulfobenzoyl)oxyhexoxycarbonyl]-5-sulfobenzoate Traditional Name: 3-[6-(3-carboxy-5-sulfo-benzoyl)oxyhexoxycarbonyl]-5-sulfo-benzoate Formula: C22H21O14S2- MolecularWeight: 573.52374

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)OCCCCCCOC(=O)C2=CC(=CC(=C2)C(=O)[O-])S(=O)(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)OCCCCCCOC(=O)C2=CC(=CC(=C2)C(=O)[O-])S(=O)(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C22H22O14S2/c23-19(24)13-7-15(11-17(9-13)37(29,30)31)21(27)35-5-3-1-2-4-6-36-22(28)16-8-14(20(25)26)10-18(12-16)38(32,33)34/h7-12H,1-6H2,(H,23,24)(H,25,26)(H,29,30,31)(H,32,33,34)/p-1