[2-(2-azanyl-2-oxidanylidene-ethoxy)-5,8,9,9a-tetrahydro-4aH-benzo[7]annulen-9-yl]methanesulfonic acid

Systemtic Name: [2-(2-azanyl-2-oxidanylidene-ethoxy)-5,8,9,9a-tetrahydro-4aH-benzo[7]annulen-9-yl]methanesulfonic acid Openeye Name: [2-(2-amino-2-oxo-ethoxy)-5,8,9,9a-tetrahydro-4aH-benzo[7]annulen-9-yl]methanesulfonic acid CAS Name: [2-(2-amino-2-oxoethoxy)-5,8,9,9a-tetrahydro-4aH-benzo[7]annulen-9-yl]methanesulfonic acid IUPAC Name: [2-(2-amino-2-oxoethoxy)-5,8,9,9a-tetrahydro-4aH-benzo[7]annulen-9-yl]methanesulfonic acid Traditional Name: [2-(2-amino-2-keto-ethoxy)-5,8,9,9a-tetrahydro-4aH-benzocyclohepten-9-yl]methanesulfonic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C2C1C=CC(=C2)OCC(=O)N)CS(=O)(=O)O

Isomeric SMILES

C1C=CCC(C2C1C=CC(=C2)OCC(=O)N)CS(=O)(=O)O

InChI

InChI=1S/C14H19NO5S/c15-14(16)8-20-12-6-5-10-3-1-2-4-11(13(10)7-12)9-21(17,18)19/h1-2,5-7,10-11,13H,3-4,8-9H2,(H2,15,16)(H,17,18,19)