8-dodecoxypyrene-1,3,6-trisulfonate

Systemtic Name: 8-dodecoxypyrene-1,3,6-trisulfonate Openeye Name: 8-dodecoxypyrene-1,3,6-trisulfonate CAS Name: 8-dodecoxypyrene-1,3,6-trisulfonate IUPAC Name: 8-dodecoxypyrene-1,3,6-trisulfonate Traditional Name: 8-lauryloxypyrene-1,3,6-trisulfonate Formula: C28H31O10S3-3 MolecularWeight: 623.73474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=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/C28H34O10S3/c1-2-3-4-5-6-7-8-9-10-11-16-38-23-17-24(39(29,30)31)20-14-15-22-26(41(35,36)37)18-25(40(32,33)34)21-13-12-19(23)27(20)28(21)22/h12-15,17-18H,2-11,16H2,1H3,(H,29,30,31)(H,32,33,34)(H,35,36,37)/p-3