2-azanyl-4-sulfanylidene-hexanedioate; 2-(phenylmethyl)sulfinylethylazanium

Systemtic Name: 2-azanyl-4-sulfanylidene-hexanedioate; 2-(phenylmethyl)sulfinylethylazanium Openeye Name: 2-amino-4-thioxo-hexanedioate; 2-benzylsulfinylethylammonium CAS Name: 2-amino-4-sulfanylidenehexanedioate; 2-(phenylmethyl)sulfinylethylammonium IUPAC Name: 2-amino-4-sulfanylidenehexanedioate; 2-benzylsulfinylethylazanium Traditional Name: 2-amino-4-thioxo-adipate; 2-benzylsulfinylethylammonium Formula: C24H35N3O6S3 MolecularWeight: 557.7462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)CC[NH3+].C1=CC=C(C=C1)CS(=O)CC[NH3+].C(C(C(=O)[O-])N)C(=S)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)CC[NH3+].C1=CC=C(C=C1)CS(=O)CC[NH3+].C(C(C(=O)[O-])N)C(=S)CC(=O)[O-]

InChI

InChI=1S/2C9H13NOS.C6H9NO4S/c2*10-6-7-12(11)8-9-4-2-1-3-5-9;7-4(6(10)11)1-3(12)2-5(8)9/h2*1-5H,6-8,10H2;4H,1-2,7H2,(H,8,9)(H,10,11)