disodium 2-propyl-5-(4-propyl-3-sulfonato-phenyl)benzenesulfonate

Systemtic Name: disodium 2-propyl-5-(4-propyl-3-sulfonato-phenyl)benzenesulfonate Openeye Name: disodium 2-propyl-5-(4-propyl-3-sulfonato-phenyl)benzenesulfonate CAS Name: disodium 2-propyl-5-(4-propyl-3-sulfonatophenyl)benzenesulfonate IUPAC Name: disodium 2-propyl-5-(4-propyl-3-sulfonatophenyl)benzenesulfonate Traditional Name: disodium 2-propyl-5-(4-propyl-3-sulfonato-phenyl)besylate Formula: C18H20Na2O6S2 MolecularWeight: 442.45734

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C2=CC(=C(C=C2)CCC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCC1=C(C=C(C=C1)C2=CC(=C(C=C2)CCC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H22O6S2.2Na/c1-3-5-13-7-9-15(11-17(13)25(19,20)21)16-10-8-14(6-4-2)18(12-16)26(22,23)24;;/h7-12H,3-6H2,1-2H3,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2