5-azido-2-[(E,3E)-3-(5-methyl-2-oxidanylidene-cyclohexylidene)prop-1-enyl]benzenesulfonic acid

Systemtic Name: 5-azido-2-[(E,3E)-3-(5-methyl-2-oxidanylidene-cyclohexylidene)prop-1-enyl]benzenesulfonic acid Openeye Name: 5-azido-2-[(E,3E)-3-(5-methyl-2-oxo-cyclohexylidene)prop-1-enyl]benzenesulfonic acid CAS Name: 5-azido-2-[(E,3E)-3-(5-methyl-2-oxocyclohexylidene)prop-1-enyl]benzenesulfonic acid IUPAC Name: 5-azido-2-[(E,3E)-3-(5-methyl-2-oxocyclohexylidene)prop-1-enyl]benzenesulfonic acid Traditional Name: 5-azido-2-[(E,3E)-3-(2-keto-5-methyl-cyclohexylidene)prop-1-enyl]besylic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)C(=CC=CC2=C(C=C(C=C2)N=[N+]=[N-])S(=O)(=O)O)C1

Isomeric SMILES

CC1CCC(=O)/C(=C/C=C/C2=C(C=C(C=C2)N=[N+]=[N-])S(=O)(=O)O)/C1

InChI

InChI=1S/C16H17N3O4S/c1-11-5-8-15(20)13(9-11)4-2-3-12-6-7-14(18-19-17)10-16(12)24(21,22)23/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,21,22,23)/b3-2+,13-4+