7-ethoxycarbonyl-9-oxidanylidene-xanthene-2,4-disulfonic acid

Systemtic Name: 7-ethoxycarbonyl-9-oxidanylidene-xanthene-2,4-disulfonic acid Openeye Name: 7-ethoxycarbonyl-9-oxo-xanthene-2,4-disulfonic acid CAS Name: 7-ethoxycarbonyl-9-oxoxanthene-2,4-disulfonic acid IUPAC Name: 7-ethoxycarbonyl-9-oxoxanthene-2,4-disulfonic acid Traditional Name: 7-carbethoxy-9-keto-xanthene-2,4-disulfonic acid Formula: C16H12O10S2 MolecularWeight: 428.39048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3C2=O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3C2=O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H12O10S2/c1-2-25-16(18)8-3-4-12-10(5-8)14(17)11-6-9(27(19,20)21)7-13(15(11)26-12)28(22,23)24/h3-7H,2H2,1H3,(H,19,20,21)(H,22,23,24)