trisodium 7-[(4-ethenylphenyl)methyl]-8-oxidanyl-pyrene-1,3,6-trisulfonate

Systemtic Name: trisodium 7-[(4-ethenylphenyl)methyl]-8-oxidanyl-pyrene-1,3,6-trisulfonate Openeye Name: trisodium 8-hydroxy-7-[(4-vinylphenyl)methyl]pyrene-1,3,6-trisulfonate CAS Name: trisodium 7-[(4-ethenylphenyl)methyl]-8-hydroxypyrene-1,3,6-trisulfonate IUPAC Name: trisodium 7-[(4-ethenylphenyl)methyl]-8-hydroxypyrene-1,3,6-trisulfonate Traditional Name: trisodium 8-hydroxy-7-(4-vinylbenzyl)pyrene-1,3,6-trisulfonate Formula: C25H15Na3O10S3 MolecularWeight: 640.54491

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)CC2=C(C3=C4C(=C2S(=O)(=O)[O-])C=CC5=C(C=C(C(=C54)C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]

Isomeric SMILES

C=CC1=CC=C(C=C1)CC2=C(C3=C4C(=C2S(=O)(=O)[O-])C=CC5=C(C=C(C(=C54)C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H18O10S3.3Na/c1-2-13-3-5-14(6-4-13)11-19-24(26)17-9-7-15-20(36(27,28)29)12-21(37(30,31)32)16-8-10-18(23(17)22(15)16)25(19)38(33,34)35;;;/h2-10,12,26H,1,11H2,(H,27,28,29)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3