4-methyl-3,5-bis(2-oxidanylideneoctadecan-3-ylamino)benzenesulfonic acid

Systemtic Name: 4-methyl-3,5-bis(2-oxidanylideneoctadecan-3-ylamino)benzenesulfonic acid Openeye Name: 3,5-bis(1-acetylhexadecylamino)-4-methyl-benzenesulfonic acid CAS Name: 4-methyl-3,5-bis(2-oxooctadecan-3-ylamino)benzenesulfonic acid IUPAC Name: 4-methyl-3,5-bis(2-oxooctadecan-3-ylamino)benzenesulfonic acid Traditional Name: 3,5-bis(1-acetylhexadecylamino)-4-methyl-besylic acid Formula: C43H78N2O5S MolecularWeight: 735.15482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(=O)C)NC1=CC(=CC(=C1C)NC(CCCCCCCCCCCCCCC)C(=O)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(=O)C)NC1=CC(=CC(=C1C)NC(CCCCCCCCCCCCCCC)C(=O)C)S(=O)(=O)O

InChI

InChI=1S/C43H78N2O5S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-40(37(4)46)44-42-34-39(51(48,49)50)35-43(36(42)3)45-41(38(5)47)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h34-35,40-41,44-45H,6-33H2,1-5H3,(H,48,49,50)