2-(3-azanyl-3-oxidanylidene-propyl)-2-thionitroso-icosanoic acid

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)-2-thionitroso-icosanoic acid Openeye Name: 2-(3-amino-3-oxo-propyl)-2-thionitroso-icosanoic acid CAS Name: 2-(3-amino-3-oxopropyl)-2-thionitrosoeicosanoic acid IUPAC Name: 2-(3-amino-3-oxopropyl)-2-thionitrosoicosanoic acid Traditional Name: 2-(3-amino-3-keto-propyl)-2-thionitroso-arachidic acid Formula: C23H44N2O3S MolecularWeight: 428.67206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCC(=O)N)(C(=O)O)N=S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCC(=O)N)(C(=O)O)N=S

InChI

InChI=1S/C23H44N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(25-29,22(27)28)20-18-21(24)26/h2-20H2,1H3,(H2,24,26)(H,27,28)