8-(didodecylamino)pyrene-1,3,6-trisulfonic acid

Systemtic Name: 8-(didodecylamino)pyrene-1,3,6-trisulfonic acid Openeye Name: 8-(didodecylamino)pyrene-1,3,6-trisulfonic acid CAS Name: 8-(didodecylamino)pyrene-1,3,6-trisulfonic acid IUPAC Name: 8-(didodecylamino)pyrene-1,3,6-trisulfonic acid Traditional Name: 8-(dilaurylamino)pyrene-1,3,6-trisulfonic acid Formula: C40H59NO9S3 MolecularWeight: 794.09276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=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/C40H59NO9S3/c1-3-5-7-9-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-10-8-6-4-2)35-29-36(51(42,43)44)32-25-26-34-38(53(48,49)50)30-37(52(45,46)47)33-24-23-31(35)39(32)40(33)34/h23-26,29-30H,3-22,27-28H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)