2-(6-chloranyl-2,1-benzothiazol-3-yl)naphthalene-1,5-disulfonic acid

Systemtic Name: 2-(6-chloranyl-2,1-benzothiazol-3-yl)naphthalene-1,5-disulfonic acid Openeye Name: 2-(6-chloro-2,1-benzothiazol-3-yl)naphthalene-1,5-disulfonic acid CAS Name: 2-(6-chloro-2,1-benzothiazol-3-yl)naphthalene-1,5-disulfonic acid IUPAC Name: 2-(6-chloro-2,1-benzothiazol-3-yl)naphthalene-1,5-disulfonic acid Traditional Name: 2-(6-chloro-2,1-benzothiazol-3-yl)naphthalene-1,5-disulfonic acid Formula: C17H10ClNO6S3 MolecularWeight: 455.9124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2S(=O)(=O)O)C3=C4C=CC(=CC4=NS3)Cl)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2S(=O)(=O)O)C3=C4C=CC(=CC4=NS3)Cl)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C17H10ClNO6S3/c18-9-4-5-12-14(8-9)19-26-16(12)13-7-6-10-11(17(13)28(23,24)25)2-1-3-15(10)27(20,21)22/h1-8H,(H,20,21,22)(H,23,24,25)