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

Systemtic Name: 8-hexadecanoyloxypyrene-1,3,6-trisulfonic acid Openeye Name: 8-hexadecanoyloxypyrene-1,3,6-trisulfonic acid CAS Name: 8-(1-oxohexadecoxy)pyrene-1,3,6-trisulfonic acid IUPAC Name: 8-hexadecanoyloxypyrene-1,3,6-trisulfonic acid Traditional Name: 8-hexadecanoyloxypyrene-1,3,6-trisulfonic acid Formula: C32H40O11S3 MolecularWeight: 696.8484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=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/C32H40O11S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-30(33)43-26-20-27(44(34,35)36)23-18-19-25-29(46(40,41)42)21-28(45(37,38)39)24-17-16-22(26)31(23)32(24)25/h16-21H,2-15H2,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)