10-bromanyl-5,15-bis(4-sulfophenyl)-21,24-dihydroporphyrin-2-sulfonic acid

Systemtic Name: 10-bromanyl-5,15-bis(4-sulfophenyl)-21,24-dihydroporphyrin-2-sulfonic acid Openeye Name: 10-bromo-5,15-bis(4-sulfophenyl)-21,24-dihydroporphyrin-2-sulfonic acid CAS Name: 10-bromo-5,15-bis(4-sulfophenyl)-21,24-dihydroporphyrin-2-sulfonic acid IUPAC Name: 10-bromo-5,15-bis(4-sulfophenyl)-21,24-dihydroporphyrin-2-sulfonic acid Traditional Name: 10-bromo-5,15-bis(4-sulfophenyl)-21,24-dihydroporphine-2-sulfonic acid Formula: C32H21BrN4O9S3 MolecularWeight: 781.62954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=CC4=C(C=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)Br)C7=CC=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)N3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=CC4=C(C=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)Br)C7=CC=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)N3)S(=O)(=O)O

InChI

InChI=1S/C32H21BrN4O9S3/c33-32-25-13-11-23(35-25)30(17-1-6-20(7-2-17)47(38,39)40)22-10-5-19(34-22)15-27-29(49(44,45)46)16-28(37-27)31(24-12-14-26(32)36-24)18-3-8-21(9-4-18)48(41,42)43/h1-16,34,37H,(H,38,39,40)(H,41,42,43)(H,44,45,46)