4-oxidanyl-3-(sulfomethyl)-6-(sulfomethylamino)naphthalene-2,7-disulfonic acid

Systemtic Name: 4-oxidanyl-3-(sulfomethyl)-6-(sulfomethylamino)naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-3-(sulfomethyl)-6-(sulfomethylamino)naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-3-(sulfomethyl)-6-(sulfomethylamino)naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-3-(sulfomethyl)-6-(sulfomethylamino)naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-3-(sulfomethyl)-6-(sulfomethylamino)naphthalene-2,7-disulfonic acid Formula: C12H13NO13S4 MolecularWeight: 507.49052

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C(=C(C2=CC(=C1S(=O)(=O)O)NCS(=O)(=O)O)O)CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C(=C(C2=CC(=C1S(=O)(=O)O)NCS(=O)(=O)O)O)CS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H13NO13S4/c14-12-7-3-9(13-5-28(18,19)20)11(30(24,25)26)2-6(7)1-10(29(21,22)23)8(12)4-27(15,16)17/h1-3,13-14H,4-5H2,(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)