1H-indol-3-yl dihydrogen phosphate; 4-methylaniline

Systemtic Name: 1H-indol-3-yl dihydrogen phosphate; 4-methylaniline Openeye Name: 1H-indol-3-yl dihydrogen phosphate; 4-methylaniline CAS Name: 1H-indol-3-yl dihydrogen phosphate; 4-methylaniline IUPAC Name: 1H-indol-3-yl dihydrogen phosphate; 4-methylaniline Traditional Name: 1H-indol-3-yl dihydrogen phosphate; p-toluidine Formula: C22H26N3O4P MolecularWeight: 427.433301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N.CC1=CC=C(C=C1)N.C1=CC=C2C(=C1)C(=CN2)OP(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)N.CC1=CC=C(C=C1)N.C1=CC=C2C(=C1)C(=CN2)OP(=O)(O)O

InChI

InChI=1S/C8H8NO4P.2C7H9N/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;2*1-6-2-4-7(8)5-3-6/h1-5,9H,(H2,10,11,12);2*2-5H,8H2,1H3