3-[(3E,5E)-2-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-1-oxidanyl-pentadeca-3,5-dienyl]benzoic acid

Systemtic Name: 3-[(3E,5E)-2-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-1-oxidanyl-pentadeca-3,5-dienyl]benzoic acid Openeye Name: 3-[(3E,5E)-2-(3-amino-3-oxo-propyl)sulfanyl-1-hydroxy-pentadeca-3,5-dienyl]benzoic acid CAS Name: 3-[(3E,5E)-2-[(3-amino-3-oxopropyl)thio]-1-hydroxypentadeca-3,5-dienyl]benzoic acid IUPAC Name: 3-[(3E,5E)-2-(3-amino-3-oxopropyl)sulfanyl-1-hydroxypentadeca-3,5-dienyl]benzoic acid Traditional Name: 3-[(3E,5E)-2-[(3-amino-3-keto-propyl)thio]-1-hydroxy-pentadeca-3,5-dienyl]benzoic acid Formula: C25H37NO4S MolecularWeight: 447.63058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC(C(C1=CC=CC(=C1)C(=O)O)O)SCCC(=O)N

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C(C(C1=CC=CC(=C1)C(=O)O)O)SCCC(=O)N

InChI

InChI=1S/C25H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(31-18-17-23(26)27)24(28)20-14-13-15-21(19-20)25(29)30/h10-16,19,22,24,28H,2-9,17-18H2,1H3,(H2,26,27)(H,29,30)/b11-10+,16-12+