2-[3-[bis(2-methoxy-2-oxidanylidene-ethyl)amino]-5-octadecoxy-phenyl]-2-sulfanylidene-ethanoic acid

Systemtic Name: 2-[3-[bis(2-methoxy-2-oxidanylidene-ethyl)amino]-5-octadecoxy-phenyl]-2-sulfanylidene-ethanoic acid Openeye Name: 2-[3-[bis(2-methoxy-2-oxo-ethyl)amino]-5-octadecoxy-phenyl]-2-thioxo-acetic acid CAS Name: 2-[3-[bis(2-methoxy-2-oxoethyl)amino]-5-octadecoxyphenyl]-2-sulfanylideneacetic acid IUPAC Name: 2-[3-[bis(2-methoxy-2-oxoethyl)amino]-5-octadecoxyphenyl]-2-sulfanylideneacetic acid Traditional Name: 2-[3-[bis(2-keto-2-methoxy-ethyl)amino]-5-stearyloxy-phenyl]-2-thioxo-acetic acid Formula: C32H51NO7S MolecularWeight: 593.81484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H51NO7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-40-28-22-26(31(41)32(36)37)21-27(23-28)33(24-29(34)38-2)25-30(35)39-3/h21-23H,4-20,24-25H2,1-3H3,(H,36,37)