1-[1,3-bis(sulfosulfanyl)propan-2-yl]phthalazine

Systemtic Name: 1-[1,3-bis(sulfosulfanyl)propan-2-yl]phthalazine Openeye Name: 1-[2-sulfosulfanyl-1-(sulfosulfanylmethyl)ethyl]phthalazine CAS Name: 1-[1,3-bis(sulfothio)propan-2-yl]phthalazine IUPAC Name: 1-[1,3-bis(sulfosulfanyl)propan-2-yl]phthalazine Traditional Name: 1-[2-(sulfothio)-1-[(sulfothio)methyl]ethyl]phthalazine Formula: C11H12N2O6S4 MolecularWeight: 396.48278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2C(CSS(=O)(=O)O)CSS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2C(CSS(=O)(=O)O)CSS(=O)(=O)O

InChI

InChI=1S/C11H12N2O6S4/c14-22(15,16)20-6-9(7-21-23(17,18)19)11-10-4-2-1-3-8(10)5-12-13-11/h1-5,9H,6-7H2,(H,14,15,16)(H,17,18,19)