tris[6-bromanyl-3-[(2-hydroxyphenyl)carbamoyl]naphthalen-2-yl] phosphate

Systemtic Name: tris[6-bromanyl-3-[(2-hydroxyphenyl)carbamoyl]naphthalen-2-yl] phosphate Openeye Name: tris[6-bromo-3-[(2-hydroxyphenyl)carbamoyl]-2-naphthyl] phosphate CAS Name: phosphoric acid tris[6-bromo-3-[(2-hydroxyanilino)-oxomethyl]-2-naphthalenyl] ester IUPAC Name: tris[6-bromo-3-[(2-hydroxyphenyl)carbamoyl]naphthalen-2-yl] phosphate Traditional Name: phosphoric acid tris[6-bromo-3-[(2-hydroxyphenyl)carbamoyl]-2-naphthyl] ester Formula: C51H33Br3N3O10P MolecularWeight: 1118.507581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)OP(=O)(OC4=C(C=C5C=C(C=CC5=C4)Br)C(=O)NC6=CC=CC=C6O)OC7=C(C=C8C=C(C=CC8=C7)Br)C(=O)NC9=CC=CC=C9O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)OP(=O)(OC4=C(C=C5C=C(C=CC5=C4)Br)C(=O)NC6=CC=CC=C6O)OC7=C(C=C8C=C(C=CC8=C7)Br)C(=O)NC9=CC=CC=C9O)O

InChI

InChI=1S/C51H33Br3N3O10P/c52-34-16-13-28-25-46(37(22-31(28)19-34)49(61)55-40-7-1-4-10-43(40)58)65-68(64,66-47-26-29-14-17-35(53)20-32(29)23-38(47)50(62)56-41-8-2-5-11-44(41)59)67-48-27-30-15-18-36(54)21-33(30)24-39(48)51(63)57-42-9-3-6-12-45(42)60/h1-27,58-60H,(H,55,61)(H,56,62)(H,57,63)