3-isothiocyanatonaphthalene-1,5-disulfonic acid

Systemtic Name: 3-isothiocyanatonaphthalene-1,5-disulfonic acid Openeye Name: 3-isothiocyanatonaphthalene-1,5-disulfonic acid CAS Name: 3-isothiocyanatonaphthalene-1,5-disulfonic acid IUPAC Name: 3-isothiocyanatonaphthalene-1,5-disulfonic acid Traditional Name: 3-isothiocyanatonaphthalene-1,5-disulfonic acid Formula: C11H7NO6S3 MolecularWeight: 345.37138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7NO6S3/c13-20(14,15)10-3-1-2-8-9(10)4-7(12-6-19)5-11(8)21(16,17)18/h1-5H,(H,13,14,15)(H,16,17,18)