sodium 6-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-8-(phenylmethylsulfanyl)octanoate

Systemtic Name: sodium 6-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-8-(phenylmethylsulfanyl)octanoate Openeye Name: sodium 6-(3-amino-3-oxo-propyl)sulfanyl-8-benzylsulfanyl-octanoate CAS Name: sodium 6-[(3-amino-3-oxopropyl)thio]-8-(phenylmethylthio)octanoate IUPAC Name: sodium 6-(3-amino-3-oxopropyl)sulfanyl-8-benzylsulfanyloctanoate Traditional Name: sodium 6-[(3-amino-3-keto-propyl)thio]-8-(benzylthio)caprylate Formula: C18H26NNaO3S2 MolecularWeight: 391.52371

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(CCCCC(=O)[O-])SCCC(=O)N.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(CCCCC(=O)[O-])SCCC(=O)N.[Na+]

InChI

InChI=1S/C18H27NO3S2.Na/c19-17(20)11-13-24-16(8-4-5-9-18(21)22)10-12-23-14-15-6-2-1-3-7-15;/h1-3,6-7,16H,4-5,8-14H2,(H2,19,20)(H,21,22);/q;+1/p-1