5-azanyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-benzoic acid

Systemtic Name: 5-azanyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-benzoic acid Openeye Name: 5-amino-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-benzoic acid CAS Name: 5-amino-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]benzoic acid IUPAC Name: 5-amino-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoic acid Traditional Name: 5-amino-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]benzoic acid Formula: C22H31NO2S MolecularWeight: 373.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCSC1=C(C=C(C=C1)N)C(=O)O)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CSC1=C(C=C(C=C1)N)C(=O)O)/C)/C)C

InChI

InChI=1S/C22H31NO2S/c1-16(2)7-5-8-17(3)9-6-10-18(4)13-14-26-21-12-11-19(23)15-20(21)22(24)25/h7,9,11-13,15H,5-6,8,10,14,23H2,1-4H3,(H,24,25)/b17-9+,18-13+