Responsive image

Common name

hydrargaphen

IUPAC name

μ-(2,2'-binaphthalene-3-sulfonyloxy)bis(phenylmercury)

SMILES

c1ccc2cc(c(cc2c1)Cc1cc2ccccc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-].c1cc[c]cc1.c1cc[c]cc1.[Hg+].[Hg+]

Compound class

Fungicide

Therapeutic area

Fungicide

Common name

hydrargaphen

IUPAC name

μ-(2,2'-binaphthalene-3-sulfonyloxy)bis(phenylmercury)

SMILES

c1ccc2cc(c(cc2c1)Cc1cc2ccccc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-].c1cc[c]cc1.c1cc[c]cc1.[Hg+].[Hg+]

INCHI

InChI=1S/C21H16O6S2.2C6H5.2Hg/c22-28(23,24)20-12-16-7-3-1-5-14(16)9-18(20)11-19-10-15-6-2-4-8-17(15)13-21(19)29(25,26)27;2*1-2-4-6-5-3-1;;/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27);2*1-5H;;/q;;;2*+1/p-2

FORMULA

C33H24Hg2O6S2

Responsive image

Common name

hydrargaphen

IUPAC name

μ-(2,2'-binaphthalene-3-sulfonyloxy)bis(phenylmercury)

Molecular weight

426.462

clogP

3.012

clogS

-6.706

HBond Acceptor

6

HBond Donor

0

Total Polar
Surface Area

114.4

Number of Rings

4

Rotatable Bond

4

Drug ID Common name Structure CAS SMILE Frequency
FDBF00005 benzene Responsive image c1ccccc1 0.2824
FDBF00283 BLAH Responsive image S(=O)O 0.0244
FDBF07197 1-(dihydroxy-λ3-sulfanyl)naphthalene Responsive image c1cc2c(cc1)c(ccc2)[S](O)O 0.0003
FDBF07198 1-(dihydroxy-λ3-sulfanyl)-2-methylnaphthalene Responsive image Cc1c(c2c(cccc2)cc1)[S](O)O 0.0003
FDBF07200 naphthalene-1-sulfonic acid Responsive image c1ccc2c(c1S(=O)(=O)O)cccc2 0.0003
FDBF07201 2-methylnaphthalene-1-sulfonic acid Responsive image Cc1c(c2c(cccc2)cc1)S(=O)(=O)O 0.0003
6 , 1