[4-[(E)-2-(3,5-disulfooxyphenyl)ethenyl]phenyl] hydrogen sulfate

Systemtic Name: [4-[(E)-2-(3,5-disulfooxyphenyl)ethenyl]phenyl] hydrogen sulfate Openeye Name: [4-[(E)-2-(3,5-disulfooxyphenyl)vinyl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-[(E)-2-(3,5-disulfooxyphenyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(3,5-disulfooxyphenyl)ethenyl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[(E)-2-(3,5-disulfoxyphenyl)vinyl]phenyl] ester Formula: C14H12O12S3 MolecularWeight: 468.43288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C14H12O12S3/c15-27(16,17)24-12-5-3-10(4-6-12)1-2-11-7-13(25-28(18,19)20)9-14(8-11)26-29(21,22)23/h1-9H,(H,15,16,17)(H,18,19,20)(H,21,22,23)/b2-1+