bis(4-dimethylaminophenyl)methylideneazanium; 3-dodecyl-2-(2-sulfonatophenoxy)benzenesulfonate

Systemtic Name: bis(4-dimethylaminophenyl)methylideneazanium; 3-dodecyl-2-(2-sulfonatophenoxy)benzenesulfonate Openeye Name: bis(4-dimethylaminophenyl)methyleneammonium; 3-dodecyl-2-(2-sulfonatophenoxy)benzenesulfonate CAS Name: bis(4-dimethylaminophenyl)methylideneammonium; 3-dodecyl-2-(2-sulfonatophenoxy)benzenesulfonate IUPAC Name: bis(4-dimethylaminophenyl)methylideneazanium; 3-dodecyl-2-(2-sulfonatophenoxy)benzenesulfonate Traditional Name: bis(4-dimethylaminophenyl)methyleneammonium; 3-lauryl-2-(2-sulfonatophenoxy)besylate Formula: C58H76N6O7S2 MolecularWeight: 1033.39004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])OC2=CC=CC=C2S(=O)(=O)[O-].CN(C)C1=CC=C(C=C1)C(=[NH2+])C2=CC=C(C=C2)N(C)C.CN(C)C1=CC=C(C=C1)C(=[NH2+])C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])OC2=CC=CC=C2S(=O)(=O)[O-].CN(C)C1=CC=C(C=C1)C(=[NH2+])C2=CC=C(C=C2)N(C)C.CN(C)C1=CC=C(C=C1)C(=[NH2+])C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C24H34O7S2.2C17H21N3/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-14-19-23(33(28,29)30)24(20)31-21-17-12-13-18-22(21)32(25,26)27;2*1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h12-14,16-19H,2-11,15H2,1H3,(H,25,26,27)(H,28,29,30);2*5-12,18H,1-4H3