2-[carboxymethyl-[2-(carboxymethylsulfinyl)-4-octadecoxy-phenyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-(carboxymethylsulfinyl)-4-octadecoxy-phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-2-(carboxymethylsulfinyl)-4-octadecoxy-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-2-(carboxymethylsulfinyl)-4-octadecoxyanilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-2-(carboxymethylsulfinyl)-4-octadecoxyanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-2-(carboxymethylsulfinyl)-4-stearyloxy-anilino]acetic acid Formula: C30H49NO8S MolecularWeight: 583.77696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)S(=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)S(=O)CC(=O)O

InChI

InChI=1S/C30H49NO8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-39-25-18-19-26(27(21-25)40(38)24-30(36)37)31(22-28(32)33)23-29(34)35/h18-19,21H,2-17,20,22-24H2,1H3,(H,32,33)(H,34,35)(H,36,37)