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

Systemtic Name: 1-[2,7-bis(3-butylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonic acid Openeye Name: 1-[2,7-bis(3-butyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonic acid CAS Name: 1-[2,7-bis(3-butyl-2-pyridinyl)-10-phenothiazinyl]-1-propanesulfonic acid IUPAC Name: 1-[2,7-bis(3-butylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonic acid Traditional Name: 1-[2,7-bis(3-butyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonic acid Formula: C33H37N3O3S2 MolecularWeight: 587.79518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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)CCCC

Isomeric SMILES

CCCCC1=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)CCCC

InChI

InChI=1S/C33H37N3O3S2/c1-4-7-11-23-13-9-19-34-32(23)25-16-18-29-28(21-25)36(31(6-3)41(37,38)39)27-17-15-26(22-30(27)40-29)33-24(12-8-5-2)14-10-20-35-33/h9-10,13-22,31H,4-8,11-12H2,1-3H3,(H,37,38,39)