4-(aminomethyl)hepta-1,6-diene-4-sulfonic acid

Systemtic Name: 4-(aminomethyl)hepta-1,6-diene-4-sulfonic acid Openeye Name: 4-(aminomethyl)hepta-1,6-diene-4-sulfonic acid CAS Name: 4-(aminomethyl)-4-hepta-1,6-dienesulfonic acid IUPAC Name: 4-(aminomethyl)hepta-1,6-diene-4-sulfonic acid Traditional Name: 4-(aminomethyl)hepta-1,6-diene-4-sulfonic acid Formula: C8H15NO3S MolecularWeight: 205.2746

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(CN)S(=O)(=O)O

Isomeric SMILES

C=CCC(CC=C)(CN)S(=O)(=O)O

InChI

InChI=1S/C8H15NO3S/c1-3-5-8(7-9,6-4-2)13(10,11)12/h3-4H,1-2,5-7,9H2,(H,10,11,12)