2-[oxidanyl(phenyl)phosphoryl]ethanoic acid; 1-phenylethanamine

Systemtic Name: 2-[oxidanyl(phenyl)phosphoryl]ethanoic acid; 1-phenylethanamine Openeye Name: 2-[hydroxy(phenyl)phosphoryl]acetic acid; 1-phenylethanamine CAS Name: 2-[hydroxy(phenyl)phosphoryl]acetic acid; 1-phenylethanamine IUPAC Name: 2-[hydroxy(phenyl)phosphoryl]acetic acid; 1-phenylethanamine Traditional Name: 2-[hydroxy(phenyl)phosphoryl]acetic acid; 1-phenylethylamine Formula: C24H31N2O4P MolecularWeight: 442.487701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N.CC(C1=CC=CC=C1)N.C1=CC=C(C=C1)P(=O)(CC(=O)O)O

Isomeric SMILES

CC(C1=CC=CC=C1)N.CC(C1=CC=CC=C1)N.C1=CC=C(C=C1)P(=O)(CC(=O)O)O

InChI

InChI=1S/2C8H11N.C8H9O4P/c2*1-7(9)8-5-3-2-4-6-8;9-8(10)6-13(11,12)7-4-2-1-3-5-7/h2*2-7H,9H2,1H3;1-5H,6H2,(H,9,10)(H,11,12)