5-(21,22-dihydroporphyrin-2-yl)-2,4,6-trimethyl-benzene-1,3-disulfonic acid

Systemtic Name: 5-(21,22-dihydroporphyrin-2-yl)-2,4,6-trimethyl-benzene-1,3-disulfonic acid Openeye Name: 5-(21,22-dihydroporphyrin-2-yl)-2,4,6-trimethyl-benzene-1,3-disulfonic acid CAS Name: 5-(21,22-dihydroporphyrin-2-yl)-2,4,6-trimethylbenzene-1,3-disulfonic acid IUPAC Name: 5-(21,22-dihydroporphyrin-2-yl)-2,4,6-trimethylbenzene-1,3-disulfonic acid Traditional Name: 5-(21,22-dihydroporphin-2-yl)-2,4,6-trimethyl-benzene-1,3-disulfonic acid Formula: C29H24N4O6S2 MolecularWeight: 588.65406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1S(=O)(=O)O)C)S(=O)(=O)O)C)C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6

Isomeric SMILES

CC1=C(C(=C(C(=C1S(=O)(=O)O)C)S(=O)(=O)O)C)C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6

InChI

InChI=1S/C29H24N4O6S2/c1-15-27(16(2)29(41(37,38)39)17(3)28(15)40(34,35)36)25-13-24-12-22-7-6-20(31-22)10-18-4-5-19(30-18)11-21-8-9-23(32-21)14-26(25)33-24/h4-14,31,33H,1-3H3,(H,34,35,36)(H,37,38,39)