2-acetyloxybenzoic acid; 5-methyl-2-piperazin-1-yl-benzenesulfonic acid

Systemtic Name: 2-acetyloxybenzoic acid; 5-methyl-2-piperazin-1-yl-benzenesulfonic acid Openeye Name: 2-acetoxybenzoic acid; 5-methyl-2-piperazin-1-yl-benzenesulfonic acid CAS Name: 2-acetyloxybenzoic acid; 5-methyl-2-(1-piperazinyl)benzenesulfonic acid IUPAC Name: 2-acetyloxybenzoic acid; 5-methyl-2-piperazin-1-ylbenzenesulfonic acid Traditional Name: 2-acetoxybenzoic acid; 5-methyl-2-piperazino-besylic acid Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C11H16N2O3S.C9H8O4/c1-9-2-3-10(11(8-9)17(14,15)16)13-6-4-12-5-7-13;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-3,8,12H,4-7H2,1H3,(H,14,15,16);2-5H,1H3,(H,11,12)