21D

?

Summary

Name:naphthalene-1,5-disulfonic acid
Formula:C10 H8 O6 S2
Formal charge:0
Molecular weight:288.297 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01naphthalene-1,5-disulfonic acid
OpenEye OEToolkits1.7.6naphthalene-1,5-disulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(O)c1cccc2c1cccc2S(=O)(=O)O
InChIInChI1.03InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKeyInChI1.03XTEGVFVZDVNBPF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O[S](=O)(=O)c1cccc2c1cccc2[S](O)(=O)=O
SMILESCACTVS3.385O[S](=O)(=O)c1cccc2c1cccc2[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O
SMILESOpenEye OEToolkits1.7.6c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O
167518
PDB entries from 2020-08-12