1-[2,4-bis(3-ethylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonic acid

Systemtic Name: 1-[2,4-bis(3-ethylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonic acid Openeye Name: 1-[2,4-bis(3-ethyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonic acid CAS Name: 1-[2,4-bis(3-ethyl-2-pyridinyl)-10-phenothiazinyl]-1-propanesulfonic acid IUPAC Name: 1-[2,4-bis(3-ethylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonic acid Traditional Name: 1-[2,4-bis(3-ethyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonic acid Formula: C29H29N3O3S2 MolecularWeight: 531.68886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=CC=C1)C2=CC(=C3C(=C2)N(C4=CC=CC=C4S3)C(CC)S(=O)(=O)O)C5=C(C=CC=N5)CC

Isomeric SMILES

CCC1=C(N=CC=C1)C2=CC(=C3C(=C2)N(C4=CC=CC=C4S3)C(CC)S(=O)(=O)O)C5=C(C=CC=N5)CC

InChI

InChI=1S/C29H29N3O3S2/c1-4-19-11-9-15-30-27(19)21-17-22(28-20(5-2)12-10-16-31-28)29-24(18-21)32(26(6-3)37(33,34)35)23-13-7-8-14-25(23)36-29/h7-18,26H,4-6H2,1-3H3,(H,33,34,35)