3-[4-[(6-methoxy-6-oxidanylidene-hexyl)amino]phenyl]-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 3-[4-[(6-methoxy-6-oxidanylidene-hexyl)amino]phenyl]-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 3-[4-[(6-methoxy-6-oxo-hexyl)amino]phenyl]-3-oxo-propane-1-sulfonic acid CAS Name: 3-[4-[(6-methoxy-6-oxohexyl)amino]phenyl]-3-oxo-1-propanesulfonic acid IUPAC Name: 3-[4-[(6-methoxy-6-oxohexyl)amino]phenyl]-3-oxopropane-1-sulfonic acid Traditional Name: 3-keto-3-[4-[(6-keto-6-methoxy-hexyl)amino]phenyl]propane-1-sulfonic acid Formula: C16H23NO6S MolecularWeight: 357.42192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC1=CC=C(C=C1)C(=O)CCS(=O)(=O)O

Isomeric SMILES

COC(=O)CCCCCNC1=CC=C(C=C1)C(=O)CCS(=O)(=O)O

InChI

InChI=1S/C16H23NO6S/c1-23-16(19)5-3-2-4-11-17-14-8-6-13(7-9-14)15(18)10-12-24(20,21)22/h6-9,17H,2-5,10-12H2,1H3,(H,20,21,22)