1-methyl-4-[(E)-2-phenylethenyl]benzene; 6-(octadecylsulfonylamino)hexanoic acid

Systemtic Name: 1-methyl-4-[(E)-2-phenylethenyl]benzene; 6-(octadecylsulfonylamino)hexanoic acid Openeye Name: 1-methyl-4-[(E)-styryl]benzene; 6-(octadecylsulfonylamino)hexanoic acid CAS Name: 1-methyl-4-[(E)-2-phenylethenyl]benzene; 6-(octadecylsulfonylamino)hexanoic acid IUPAC Name: 1-methyl-4-[(E)-2-phenylethenyl]benzene; 6-(octadecylsulfonylamino)hexanoic acid Traditional Name: 1-methyl-4-[(E)-styryl]benzene; 6-(stearylsulfonylamino)hexanoic acid Formula: C39H63NO4S MolecularWeight: 641.98682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCS(=O)(=O)NCCCCCC(=O)O.CC1=CC=C(C=C1)C=CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCS(=O)(=O)NCCCCCC(=O)O.CC1=CC=C(C=C1)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C24H49NO4S.C15H14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(28,29)25-22-19-17-18-21-24(26)27;1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h25H,2-23H2,1H3,(H,26,27);2-12H,1H3/b;12-11+