4-[2-(15-phenyl-23,24-dihydroporphyrin-5-yl)imidazol-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[2-(15-phenyl-23,24-dihydroporphyrin-5-yl)imidazol-1-yl]butane-1-sulfonic acid Openeye Name: 4-[2-(15-phenyl-23,24-dihydroporphyrin-5-yl)imidazol-1-yl]butane-1-sulfonic acid CAS Name: 4-[2-(15-phenyl-23,24-dihydroporphyrin-5-yl)-1-imidazolyl]-1-butanesulfonic acid IUPAC Name: 4-[2-(15-phenyl-23,24-dihydroporphyrin-5-yl)imidazol-1-yl]butane-1-sulfonic acid Traditional Name: 4-[2-(15-phenyl-23,24-dihydroporphin-5-yl)imidazol-1-yl]butane-1-sulfonic acid Formula: C33H28N6O3S MolecularWeight: 588.67882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=NC=CN7CCCCS(=O)(=O)O)C=C4)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=NC=CN7CCCCS(=O)(=O)O)C=C4)N3

InChI

InChI=1S/C33H28N6O3S/c40-43(41,42)19-5-4-17-39-18-16-34-33(39)32-29-14-10-25(37-29)20-23-8-12-27(35-23)31(22-6-2-1-3-7-22)28-13-9-24(36-28)21-26-11-15-30(32)38-26/h1-3,6-16,18,20-21,35-36H,4-5,17,19H2,(H,40,41,42)