trisodium 7-ethoxypyrene-1,3,5-trisulfonate

Systemtic Name: trisodium 7-ethoxypyrene-1,3,5-trisulfonate Openeye Name: trisodium 7-ethoxypyrene-1,3,5-trisulfonate CAS Name: trisodium 7-ethoxypyrene-1,3,5-trisulfonate IUPAC Name: trisodium 7-ethoxypyrene-1,3,5-trisulfonate Traditional Name: trisodium 7-ethoxypyrene-1,3,5-trisulfonate Formula: C18H11Na3O10S3 MolecularWeight: 552.43825

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C3C(=CC(=C4C3=C2C(=C1)C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCOC1=CC2=C(C=C3C(=CC(=C4C3=C2C(=C1)C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

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