2-[2-[[5,5-dimethyl-4,6-bis(oxidanylidene)-1H-pyrimidin-2-yl]disulfanyl]phenyl]benzenesulfinate

Systemtic Name: 2-[2-[[5,5-dimethyl-4,6-bis(oxidanylidene)-1H-pyrimidin-2-yl]disulfanyl]phenyl]benzenesulfinate Openeye Name: 2-[2-[(5,5-dimethyl-4,6-dioxo-1H-pyrimidin-2-yl)disulfanyl]phenyl]benzenesulfinate CAS Name: 2-[2-[(5,5-dimethyl-4,6-dioxo-1H-pyrimidin-2-yl)disulfanyl]phenyl]benzenesulfinate IUPAC Name: 2-[2-[(5,5-dimethyl-4,6-dioxo-1H-pyrimidin-2-yl)disulfanyl]phenyl]benzenesulfinate Traditional Name: 2-[2-[(4,6-diketo-5,5-dimethyl-1H-pyrimidin-2-yl)disulfanyl]phenyl]benzenesulfinate Formula: C18H15N2O4S3- MolecularWeight: 419.5177

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC(=NC1=O)SSC2=CC=CC=C2C3=CC=CC=C3S(=O)[O-])C

Isomeric SMILES

CC1(C(=O)NC(=NC1=O)SSC2=CC=CC=C2C3=CC=CC=C3S(=O)[O-])C

InChI

InChI=1S/C18H16N2O4S3/c1-18(2)15(21)19-17(20-16(18)22)26-25-13-9-5-3-7-11(13)12-8-4-6-10-14(12)27(23)24/h3-10H,1-2H3,(H,23,24)(H,19,20,21,22)/p-1