2-[(2-butylphenyl)-[(E)-dec-3-enyl]amino]-2-oxidanylidene-ethanesulfonic acid

Systemtic Name: 2-[(2-butylphenyl)-[(E)-dec-3-enyl]amino]-2-oxidanylidene-ethanesulfonic acid Openeye Name: 2-(2-butyl-N-[(E)-dec-3-enyl]anilino)-2-oxo-ethanesulfonic acid CAS Name: 2-(2-butyl-N-[(E)-dec-3-enyl]anilino)-2-oxoethanesulfonic acid IUPAC Name: 2-(2-butyl-N-[(E)-dec-3-enyl]anilino)-2-oxoethanesulfonic acid Traditional Name: 2-(2-butyl-N-[(E)-dec-3-enyl]anilino)-2-keto-ethanesulfonic acid Formula: C22H35NO4S MolecularWeight: 409.5826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCN(C1=CC=CC=C1CCCC)C(=O)CS(=O)(=O)O

Isomeric SMILES

CCCCCC/C=C/CCN(C1=CC=CC=C1CCCC)C(=O)CS(=O)(=O)O

InChI

InChI=1S/C22H35NO4S/c1-3-5-7-8-9-10-11-14-18-23(22(24)19-28(25,26)27)21-17-13-12-16-20(21)15-6-4-2/h10-13,16-17H,3-9,14-15,18-19H2,1-2H3,(H,25,26,27)/b11-10+