3-phenothiazin-10-ylpropanoic acid; 1H-phenoxazine

Systemtic Name: 3-phenothiazin-10-ylpropanoic acid; 1H-phenoxazine Openeye Name: 3-phenothiazin-10-ylpropanoic acid; 1H-phenoxazine CAS Name: 3-(10-phenothiazinyl)propanoic acid; 1H-phenoxazine IUPAC Name: 3-phenothiazin-10-ylpropanoic acid; 1H-phenoxazine Traditional Name: 3-phenothiazin-10-ylpropionic acid; 1H-phenoxazine Formula: C27H22N2O3S MolecularWeight: 454.54018

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C2C1=NC3=CC=CC=C3O2.C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)O

Isomeric SMILES

C1C=CC=C2C1=NC3=CC=CC=C3O2.C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)O

InChI

InChI=1S/C15H13NO2S.C12H9NO/c17-15(18)9-10-16-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)16;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H,9-10H2,(H,17,18);1-5,7-8H,6H2