2-methyl-5-(4-phenothiazin-10-ylbutyl)-1,3-dioxane-2-carboxylic acid

Systemtic Name: 2-methyl-5-(4-phenothiazin-10-ylbutyl)-1,3-dioxane-2-carboxylic acid Openeye Name: 2-methyl-5-(4-phenothiazin-10-ylbutyl)-1,3-dioxane-2-carboxylic acid CAS Name: 2-methyl-5-[4-(10-phenothiazinyl)butyl]-1,3-dioxane-2-carboxylic acid IUPAC Name: 2-methyl-5-(4-phenothiazin-10-ylbutyl)-1,3-dioxane-2-carboxylic acid Traditional Name: 2-methyl-5-(4-phenothiazin-10-ylbutyl)-1,3-dioxane-2-carboxylic acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCN2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)CCCCN2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C22H25NO4S/c1-22(21(24)25)26-14-16(15-27-22)8-6-7-13-23-17-9-2-4-11-19(17)28-20-12-5-3-10-18(20)23/h2-5,9-12,16H,6-8,13-15H2,1H3,(H,24,25)