8-ethoxypyrene-1,3,6-trisulfonate

Systemtic Name: 8-ethoxypyrene-1,3,6-trisulfonate Openeye Name: 8-ethoxypyrene-1,3,6-trisulfonate CAS Name: 8-ethoxypyrene-1,3,6-trisulfonate IUPAC Name: 8-ethoxypyrene-1,3,6-trisulfonate Traditional Name: 8-ethoxypyrene-1,3,6-trisulfonate Formula: C18H11O10S3-3 MolecularWeight: 483.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCOC1=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/C18H14O10S3/c1-2-28-13-7-14(29(19,20)21)10-5-6-12-16(31(25,26)27)8-15(30(22,23)24)11-4-3-9(13)17(10)18(11)12/h3-8H,2H2,1H3,(H,19,20,21)(H,22,23,24)(H,25,26,27)/p-3