8-isothiocyanatonaphthalene-1,2,3-trisulfonic acid

Systemtic Name: 8-isothiocyanatonaphthalene-1,2,3-trisulfonic acid Openeye Name: 8-isothiocyanatonaphthalene-1,2,3-trisulfonic acid CAS Name: 8-isothiocyanatonaphthalene-1,2,3-trisulfonic acid IUPAC Name: 8-isothiocyanatonaphthalene-1,2,3-trisulfonic acid Traditional Name: 8-isothiocyanatonaphthalene-1,2,3-trisulfonic acid Formula: C11H7NO9S4 MolecularWeight: 425.43458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=C(C(=C2C(=C1)N=C=S)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=CC(=C(C(=C2C(=C1)N=C=S)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H7NO9S4/c13-23(14,15)8-4-6-2-1-3-7(12-5-22)9(6)11(25(19,20)21)10(8)24(16,17)18/h1-4H,(H,13,14,15)(H,16,17,18)(H,19,20,21)