The Biofilms Structural Database
Name
7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid
Molecular Weight
540.54
Isomeric SMILES
c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O
Formula
C20H16N2O10S3
Identifiers
Formal Charge
0
InChI
InChI=1S/C20H16N2O10S3/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15/h1-10,20-22H,(H,24,25,26)(H,27,28,29)(H,30,31,32)/t20-/m0/s1
Atom Count
51
InChIKey
DOHFSJYQGWYGDQ-FQEVSTJZSA-N
PDB codes
6YIZ
Type
NON-POLYMER
Chiral Atom Count
1
Chiral Atoms
n/a
Bond Count
54
Aromatic Bond Count
17
Leaving Atoms