5,15-bis(4-sulfophenyl)-22,23-dihydroporphyrin-2-sulfonic acid

Systemtic Name: 5,15-bis(4-sulfophenyl)-22,23-dihydroporphyrin-2-sulfonic acid Openeye Name: 5,15-bis(4-sulfophenyl)-22,23-dihydroporphyrin-2-sulfonic acid CAS Name: 5,15-bis(4-sulfophenyl)-22,23-dihydroporphyrin-2-sulfonic acid IUPAC Name: 5,15-bis(4-sulfophenyl)-22,23-dihydroporphyrin-2-sulfonic acid Traditional Name: 5,15-bis(4-sulfophenyl)-22,23-dihydroporphine-2-sulfonic acid Formula: C32H22N4O9S3 MolecularWeight: 702.73348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H22N4O9S3/c37-46(38,39)23-8-1-18(2-9-23)31-25-12-5-20(33-25)15-21-6-13-27(34-21)32(19-3-10-24(11-4-19)47(40,41)42)29-17-30(48(43,44)45)28(36-29)16-22-7-14-26(31)35-22/h1-17,33-34H,(H,37,38,39)(H,40,41,42)(H,43,44,45)