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4-[6-[bis(azanyl)methylideneamino]hexanoyloxy]benzoic acid; methanesulfonic acid

4-[6-[bis(azanyl)methylideneamino]hexanoyloxy]benzoic acid; methanesulfonic acid

Systemtic Name:4-[6-[bis(azanyl)methylideneamino]hexanoyloxy]benzoic acid; methanesulfonic acid
Openeye Name:4-(6-guanidinohexanoyloxy)benzoic acid; methanesulfonic acid
CAS Name:4-[6-(diaminomethylideneamino)-1-oxohexoxy]benzoic acid; methanesulfonic acid
IUPAC Name:4-[6-(diaminomethylideneamino)hexanoyloxy]benzoic acid; methanesulfonic acid
Traditional Name:4-(6-guanidinohexanoyloxy)benzoic acid; mesylic acid
Formula: C15H23N3O7S
MolecularWeight: 389.42402
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CC=C1C(=O)O)OC(=O)CCCCCN=C(N)N


Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CC=C1C(=O)O)OC(=O)CCCCCN=C(N)N


InChI

InChI=1S/C14H19N3O4.CH4O3S/c15-14(16)17-9-3-1-2-4-12(18)21-11-7-5-10(6-8-11)13(19)20;1-5(2,3)4/h5-8H,1-4,9H2,(H,19,20)(H4,15,16,17);1H3,(H,2,3,4)


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