2-(9,9a-dihydro-4aH-xanthen-3-ylsulfonylamino)-3-oxidanyl-propanoic acid

Systemtic Name: 2-(9,9a-dihydro-4aH-xanthen-3-ylsulfonylamino)-3-oxidanyl-propanoic acid Openeye Name: 2-(9,9a-dihydro-4aH-xanthen-3-ylsulfonylamino)-3-hydroxy-propanoic acid CAS Name: 2-(9,9a-dihydro-4aH-xanthen-3-ylsulfonylamino)-3-hydroxypropanoic acid IUPAC Name: 2-(9,9a-dihydro-4aH-xanthen-3-ylsulfonylamino)-3-hydroxypropanoic acid Traditional Name: 2-(9,9a-dihydro-4aH-xanthen-3-ylsulfonylamino)-3-hydroxy-propionic acid Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC(=CC2OC3=CC=CC=C31)S(=O)(=O)NC(CO)C(=O)O

Isomeric SMILES

C1C2C=CC(=CC2OC3=CC=CC=C31)S(=O)(=O)NC(CO)C(=O)O

InChI

InChI=1S/C16H17NO6S/c18-9-13(16(19)20)17-24(21,22)12-6-5-11-7-10-3-1-2-4-14(10)23-15(11)8-12/h1-6,8,11,13,15,17-18H,7,9H2,(H,19,20)