7-phenylazanylheptane-1-sulfonic acid

Systemtic Name: 7-phenylazanylheptane-1-sulfonic acid Openeye Name: 7-anilinoheptane-1-sulfonic acid CAS Name: 7-anilino-1-heptanesulfonic acid IUPAC Name: 7-anilinoheptane-1-sulfonic acid Traditional Name: 7-anilinoheptane-1-sulfonic acid Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCCCCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NCCCCCCCS(=O)(=O)O

InChI

InChI=1S/C13H21NO3S/c15-18(16,17)12-8-3-1-2-7-11-14-13-9-5-4-6-10-13/h4-6,9-10,14H,1-3,7-8,11-12H2,(H,15,16,17)