1-[2,7-bis(3-ethylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonic acid

Systemtic Name: 1-[2,7-bis(3-ethylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonic acid Openeye Name: 1-[2,7-bis(3-ethyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonic acid CAS Name: 1-[2,7-bis(3-ethyl-2-pyridinyl)-10-phenothiazinyl]-1-propanesulfonic acid IUPAC Name: 1-[2,7-bis(3-ethylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonic acid Traditional Name: 1-[2,7-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=CC3=C(C=C2)SC4=C(N3C(CC)S(=O)(=O)O)C=CC(=C4)C5=C(C=CC=N5)CC

Isomeric SMILES

CCC1=C(N=CC=C1)C2=CC3=C(C=C2)SC4=C(N3C(CC)S(=O)(=O)O)C=CC(=C4)C5=C(C=CC=N5)CC

InChI

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