(5-bromanyl-6-chloranyl-1H-indol-3-yl) dihydrogen phosphate; 4-methylbenzoic acid

Systemtic Name: (5-bromanyl-6-chloranyl-1H-indol-3-yl) dihydrogen phosphate; 4-methylbenzoic acid Openeye Name: (5-bromo-6-chloro-1H-indol-3-yl) dihydrogen phosphate; 4-methylbenzoic acid CAS Name: (5-bromo-6-chloro-1H-indol-3-yl) dihydrogen phosphate; 4-methylbenzoic acid IUPAC Name: (5-bromo-6-chloro-1H-indol-3-yl) dihydrogen phosphate; 4-methylbenzoic acid Traditional Name: (5-bromo-6-chloro-1H-indol-3-yl) dihydrogen phosphate; p-toluic acid Formula: C16H14BrClNO6P MolecularWeight: 462.616221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)O.C1=C2C(=CC(=C1Br)Cl)NC=C2OP(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O.C1=C2C(=CC(=C1Br)Cl)NC=C2OP(=O)(O)O

InChI

InChI=1S/C8H6BrClNO4P.C8H8O2/c9-5-1-4-7(2-6(5)10)11-3-8(4)15-16(12,13)14;1-6-2-4-7(5-3-6)8(9)10/h1-3,11H,(H2,12,13,14);2-5H,1H3,(H,9,10)