2-acetyloxybenzoic acid; 2-(7-methoxy-10-methyl-phenothiazin-2-yl)propanoic acid

Systemtic Name: 2-acetyloxybenzoic acid; 2-(7-methoxy-10-methyl-phenothiazin-2-yl)propanoic acid Openeye Name: 2-acetoxybenzoic acid; 2-(7-methoxy-10-methyl-phenothiazin-2-yl)propanoic acid CAS Name: 2-acetyloxybenzoic acid; 2-(7-methoxy-10-methyl-2-phenothiazinyl)propanoic acid IUPAC Name: 2-acetyloxybenzoic acid; 2-(7-methoxy-10-methylphenothiazin-2-yl)propanoic acid Traditional Name: 2-acetoxybenzoic acid; 2-(7-methoxy-10-methyl-phenothiazin-2-yl)propionic acid Formula: C26H25NO7S MolecularWeight: 495.5442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=C(N2C)C=CC(=C3)OC)C(=O)O.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=C(N2C)C=CC(=C3)OC)C(=O)O.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C17H17NO3S.C9H8O4/c1-10(17(19)20)11-4-7-15-14(8-11)18(2)13-6-5-12(21-3)9-16(13)22-15;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h4-10H,1-3H3,(H,19,20);2-5H,1H3,(H,11,12)