4-[bis(azanyl)methylideneamino]butyl 3,4,5-trimethoxybenzoate; sulfuric acid

Systemtic Name: 4-[bis(azanyl)methylideneamino]butyl 3,4,5-trimethoxybenzoate; sulfuric acid Openeye Name: 4-guanidinobutyl 3,4,5-trimethoxybenzoate; sulfuric acid CAS Name: sulfuric acid; 3,4,5-trimethoxybenzoic acid 4-(diaminomethylideneamino)butyl ester IUPAC Name: 4-(diaminomethylideneamino)butyl 3,4,5-trimethoxybenzoate; sulfuric acid Traditional Name: sulfuric acid; 3,4,5-trimethoxybenzoic acid 4-guanidinobutyl ester Formula: C15H25N3O9S MolecularWeight: 423.4387

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCN=C(N)N.OS(=O)(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCN=C(N)N.OS(=O)(=O)O

InChI

InChI=1S/C15H23N3O5.H2O4S/c1-20-11-8-10(9-12(21-2)13(11)22-3)14(19)23-7-5-4-6-18-15(16)17;1-5(2,3)4/h8-9H,4-7H2,1-3H3,(H4,16,17,18);(H2,1,2,3,4)