4-oxidanylidene-4-(phenethylamino)butane-2-sulfinate; 2-phenylethanamine

Systemtic Name: 4-oxidanylidene-4-(phenethylamino)butane-2-sulfinate; 2-phenylethanamine Openeye Name: 4-oxo-4-(phenethylamino)butane-2-sulfinate; 2-phenylethanamine CAS Name: 4-oxo-4-(phenethylamino)-2-butanesulfinate; 2-phenylethanamine IUPAC Name: 4-oxo-4-(phenethylamino)butane-2-sulfinate; 2-phenylethanamine Traditional Name: 4-keto-4-(phenethylamino)butane-2-sulfinate; phenethylamine Formula: C20H27N2O3S- MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCCC1=CC=CC=C1)S(=O)[O-].C1=CC=C(C=C1)CCN

Isomeric SMILES

CC(CC(=O)NCCC1=CC=CC=C1)S(=O)[O-].C1=CC=C(C=C1)CCN

InChI

InChI=1S/C12H17NO3S.C8H11N/c1-10(17(15)16)9-12(14)13-8-7-11-5-3-2-4-6-11;9-7-6-8-4-2-1-3-5-8/h2-6,10H,7-9H2,1H3,(H,13,14)(H,15,16);1-5H,6-7,9H2/p-1