9-(4-carboxy-2-sulfonato-phenyl)-2,7-bis(fluoranyl)-3-oxidanyl-6-oxidanylidene-xanthene-4,5-disulfonate

Systemtic Name: 9-(4-carboxy-2-sulfonato-phenyl)-2,7-bis(fluoranyl)-3-oxidanyl-6-oxidanylidene-xanthene-4,5-disulfonate Openeye Name: 9-(4-carboxy-2-sulfonato-phenyl)-2,7-difluoro-3-hydroxy-6-oxo-xanthene-4,5-disulfonate CAS Name: 9-(4-carboxy-2-sulfonatophenyl)-2,7-difluoro-3-hydroxy-6-oxoxanthene-4,5-disulfonate IUPAC Name: 9-(4-carboxy-2-sulfonatophenyl)-2,7-difluoro-3-hydroxy-6-oxoxanthene-4,5-disulfonate Traditional Name: 9-(4-carboxy-2-sulfonato-phenyl)-2,7-difluoro-3-hydroxy-6-keto-xanthene-4,5-disulfonate Formula: C20H7F2O14S3-3 MolecularWeight: 605.452986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)[O-])C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)F)O)S(=O)(=O)[O-])S(=O)(=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)[O-])C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)F)O)S(=O)(=O)[O-])S(=O)(=O)[O-])F

InChI

InChI=1S/C20H10F2O14S3/c21-10-4-8-13(7-2-1-6(20(25)26)3-12(7)37(27,28)29)9-5-11(22)15(24)19(39(33,34)35)17(9)36-16(8)18(14(10)23)38(30,31)32/h1-5,23H,(H,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35)/p-3