2-(3,6,8-trisulfopyren-1-yl)ethanoic acid

Systemtic Name: 2-(3,6,8-trisulfopyren-1-yl)ethanoic acid Openeye Name: 2-(3,6,8-trisulfopyren-1-yl)acetic acid CAS Name: 2-(3,6,8-trisulfo-1-pyrenyl)acetic acid IUPAC Name: 2-(3,6,8-trisulfopyren-1-yl)acetic acid Traditional Name: 2-(3,6,8-trisulfopyren-1-yl)acetic acid Formula: C18H12O11S3 MolecularWeight: 500.47628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=C(C1=C43)CC(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C3C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=C(C1=C43)CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H12O11S3/c19-16(20)6-8-5-13(30(21,22)23)10-3-4-12-15(32(27,28)29)7-14(31(24,25)26)11-2-1-9(8)17(10)18(11)12/h1-5,7H,6H2,(H,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)