disodium 2-[10-(2-sulfonatoethyl)anthracen-9-yl]ethanesulfonate

Systemtic Name: disodium 2-[10-(2-sulfonatoethyl)anthracen-9-yl]ethanesulfonate Openeye Name: disodium 2-[10-(2-sulfonatoethyl)-9-anthryl]ethanesulfonate CAS Name: disodium 2-[10-(2-sulfonatoethyl)-9-anthracenyl]ethanesulfonate IUPAC Name: disodium 2-[10-(2-sulfonatoethyl)anthracen-9-yl]ethanesulfonate Traditional Name: disodium 2-[10-(2-sulfonatoethyl)-9-anthryl]ethanesulfonate Formula: C18H16Na2O6S2 MolecularWeight: 438.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CCS(=O)(=O)[O-])CCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CCS(=O)(=O)[O-])CCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H18O6S2.2Na/c19-25(20,21)11-9-17-13-5-1-2-6-14(13)18(10-12-26(22,23)24)16-8-4-3-7-15(16)17;;/h1-8H,9-12H2,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2