(2-methylphenyl)methyl [4-(3-sulfanylidene-1,2-dithiol-4-yl)phenyl] hydrogen phosphate

Systemtic Name: (2-methylphenyl)methyl [4-(3-sulfanylidene-1,2-dithiol-4-yl)phenyl] hydrogen phosphate Openeye Name: o-tolylmethyl [4-(3-thioxodithiol-4-yl)phenyl] hydrogen phosphate CAS Name: (2-methylphenyl)methyl [4-(3-sulfanylidene-4-dithiolyl)phenyl] hydrogen phosphate IUPAC Name: (2-methylphenyl)methyl [4-(3-sulfanylidenedithiol-4-yl)phenyl] hydrogen phosphate Traditional Name: (2-methylbenzyl) [4-(3-thioxodithiol-4-yl)phenyl] hydrogen phosphate Formula: C17H15O4PS3 MolecularWeight: 410.467361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COP(=O)(O)OC2=CC=C(C=C2)C3=CSSC3=S

Isomeric SMILES

CC1=CC=CC=C1COP(=O)(O)OC2=CC=C(C=C2)C3=CSSC3=S

InChI

InChI=1S/C17H15O4PS3/c1-12-4-2-3-5-14(12)10-20-22(18,19)21-15-8-6-13(7-9-15)16-11-24-25-17(16)23/h2-9,11H,10H2,1H3,(H,18,19)