2-phenylethanamine; 3-sulfinopropanoic acid

Systemtic Name: 2-phenylethanamine; 3-sulfinopropanoic acid Openeye Name: 2-phenylethanamine; 3-sulfinopropanoic acid CAS Name: 2-phenylethanamine; 3-sulfinopropanoic acid IUPAC Name: 2-phenylethanamine; 3-sulfinopropanoic acid Traditional Name: phenethylamine; 3-sulfinopropionic acid Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)CCN.C(CS(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)CCN.C(CS(=O)O)C(=O)O

InChI

InChI=1S/2C8H11N.C3H6O4S/c2*9-7-6-8-4-2-1-3-5-8;4-3(5)1-2-8(6)7/h2*1-5H,6-7,9H2;1-2H2,(H,4,5)(H,6,7)