trisodium; 2-butylbenzenesulfonate; 3-butylbenzenesulfonate; 4-butylbenzenesulfonate

Systemtic Name: trisodium; 2-butylbenzenesulfonate; 3-butylbenzenesulfonate; 4-butylbenzenesulfonate Openeye Name: trisodium; 2-butylbenzenesulfonate; 3-butylbenzenesulfonate; 4-butylbenzenesulfonate CAS Name: trisodium; 2-butylbenzenesulfonate; 3-butylbenzenesulfonate; 4-butylbenzenesulfonate IUPAC Name: trisodium; 2-butylbenzenesulfonate; 3-butylbenzenesulfonate; 4-butylbenzenesulfonate Traditional Name: trisodium; 2-butylbesylate; 3-butylbesylate; 4-butylbesylate Formula: C30H39Na3O9S3 MolecularWeight: 708.78957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/3C10H14O3S.3Na/c1-2-3-6-9-7-4-5-8-10(9)14(11,12)13;1-2-3-5-9-6-4-7-10(8-9)14(11,12)13;1-2-3-4-9-5-7-10(8-6-9)14(11,12)13;;;/h4-5,7-8H,2-3,6H2,1H3,(H,11,12,13);4,6-8H,2-3,5H2,1H3,(H,11,12,13);5-8H,2-4H2,1H3,(H,11,12,13);;;/q;;;3*+1/p-3