3-[methyl-bis(1-phenyltridecyl)azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[methyl-bis(1-phenyltridecyl)azaniumyl]propane-1-sulfonate Openeye Name: 3-[methyl-bis(1-phenyltridecyl)ammonio]propane-1-sulfonate CAS Name: 3-[methyl-bis(1-phenyltridecyl)ammonio]-1-propanesulfonate IUPAC Name: 3-[methyl-bis(1-phenyltridecyl)azaniumyl]propane-1-sulfonate Traditional Name: 3-[methyl-bis(1-phenyltridecyl)ammonio]propane-1-sulfonate Formula: C42H71NO3S MolecularWeight: 670.08304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(CCCS(=O)(=O)[O-])C(CCCCCCCCCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(CCCS(=O)(=O)[O-])C(CCCCCCCCCCCC)C2=CC=CC=C2

InChI

InChI=1S/C42H71NO3S/c1-4-6-8-10-12-14-16-18-20-28-35-41(39-31-24-22-25-32-39)43(3,37-30-38-47(44,45)46)42(40-33-26-23-27-34-40)36-29-21-19-17-15-13-11-9-7-5-2/h22-27,31-34,41-42H,4-21,28-30,35-38H2,1-3H3