8-methoxypyrene-1,3,6-trisulfonic acid

Systemtic Name: 8-methoxypyrene-1,3,6-trisulfonic acid Openeye Name: 8-methoxypyrene-1,3,6-trisulfonic acid CAS Name: 8-methoxypyrene-1,3,6-trisulfonic acid IUPAC Name: 8-methoxypyrene-1,3,6-trisulfonic acid Traditional Name: 8-methoxypyrene-1,3,6-trisulfonic acid Formula: C17H12O10S3 MolecularWeight: 472.46618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H12O10S3/c1-27-12-6-13(28(18,19)20)9-4-5-11-15(30(24,25)26)7-14(29(21,22)23)10-3-2-8(12)16(9)17(10)11/h2-7H,1H3,(H,18,19,20)(H,21,22,23)(H,24,25,26)