5-azanyl-4-methyl-octa-1,7-diene-4-sulfonic acid

Systemtic Name: 5-azanyl-4-methyl-octa-1,7-diene-4-sulfonic acid Openeye Name: 5-amino-4-methyl-octa-1,7-diene-4-sulfonic acid CAS Name: 5-amino-4-methyl-4-octa-1,7-dienesulfonic acid IUPAC Name: 5-amino-4-methylocta-1,7-diene-4-sulfonic acid Traditional Name: 5-amino-4-methyl-octa-1,7-diene-4-sulfonic acid Formula: C9H17NO3S MolecularWeight: 219.30118

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=C)(C(CC=C)N)S(=O)(=O)O

Isomeric SMILES

CC(CC=C)(C(CC=C)N)S(=O)(=O)O

InChI

InChI=1S/C9H17NO3S/c1-4-6-8(10)9(3,7-5-2)14(11,12)13/h4-5,8H,1-2,6-7,10H2,3H3,(H,11,12,13)