8-hexadecoxypyrene-1,3,6-trisulfonate

Systemtic Name: 8-hexadecoxypyrene-1,3,6-trisulfonate Openeye Name: 8-hexadecoxypyrene-1,3,6-trisulfonate CAS Name: 8-hexadecoxypyrene-1,3,6-trisulfonate IUPAC Name: 8-hexadecoxypyrene-1,3,6-trisulfonate Traditional Name: 8-cetyloxypyrene-1,3,6-trisulfonate Formula: C32H39O10S3-3 MolecularWeight: 679.84106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=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/C32H42O10S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-42-27-21-28(43(33,34)35)24-18-19-26-30(45(39,40)41)22-29(44(36,37)38)25-17-16-23(27)31(24)32(25)26/h16-19,21-22H,2-15,20H2,1H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)/p-3