(E)-6-[3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-8-(4-octylphenyl)-5-oxidanyl-oct-7-enoate

Systemtic Name: (E)-6-[3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-8-(4-octylphenyl)-5-oxidanyl-oct-7-enoate Openeye Name: (E)-5-hydroxy-6-[3-[(3-methoxy-3-oxo-propanoyl)amino]phenyl]sulfanyl-8-(4-octylphenyl)oct-7-enoate CAS Name: (E)-5-hydroxy-6-[[3-[(3-methoxy-1,3-dioxopropyl)amino]phenyl]thio]-8-(4-octylphenyl)-7-octenoate IUPAC Name: (E)-5-hydroxy-6-[3-[(3-methoxy-3-oxopropanoyl)amino]phenyl]sulfanyl-8-(4-octylphenyl)oct-7-enoate Traditional Name: (E)-5-hydroxy-6-[[3-[(3-keto-3-methoxy-propanoyl)amino]phenyl]thio]-8-(4-octylphenyl)oct-7-enoate Formula: C32H42NO6S- MolecularWeight: 568.74398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C=CC(C(CCCC(=O)[O-])O)SC2=CC=CC(=C2)NC(=O)CC(=O)OC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)/C=C/C(C(CCCC(=O)[O-])O)SC2=CC=CC(=C2)NC(=O)CC(=O)OC

InChI

InChI=1S/C32H43NO6S/c1-3-4-5-6-7-8-11-24-16-18-25(19-17-24)20-21-29(28(34)14-10-15-31(36)37)40-27-13-9-12-26(22-27)33-30(35)23-32(38)39-2/h9,12-13,16-22,28-29,34H,3-8,10-11,14-15,23H2,1-2H3,(H,33,35)(H,36,37)/p-1/b21-20+