6-[3-[(2-methoxy-2-oxidanylidene-ethyl)amino]phenyl]sulfonyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoate

Systemtic Name: 6-[3-[(2-methoxy-2-oxidanylidene-ethyl)amino]phenyl]sulfonyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoate Openeye Name: 5-hydroxy-6-[3-[(2-methoxy-2-oxo-ethyl)amino]phenyl]sulfonyl-6-(4-nonylphenyl)hexanoate CAS Name: 5-hydroxy-6-[3-[(2-methoxy-2-oxoethyl)amino]phenyl]sulfonyl-6-(4-nonylphenyl)hexanoate IUPAC Name: 5-hydroxy-6-[3-[(2-methoxy-2-oxoethyl)amino]phenyl]sulfonyl-6-(4-nonylphenyl)hexanoate Traditional Name: 5-hydroxy-6-[3-[(2-keto-2-methoxy-ethyl)amino]phenyl]sulfonyl-6-(4-nonylphenyl)hexanoate Formula: C30H42NO7S- MolecularWeight: 560.72198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)[O-])O)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)OC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)[O-])O)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)OC

InChI

InChI=1S/C30H43NO7S/c1-3-4-5-6-7-8-9-12-23-17-19-24(20-18-23)30(27(32)15-11-16-28(33)34)39(36,37)26-14-10-13-25(21-26)31-22-29(35)38-2/h10,13-14,17-21,27,30-32H,3-9,11-12,15-16,22H2,1-2H3,(H,33,34)/p-1