(6-carbamimidoylnaphthalen-2-yl) (2E,4E)-hexa-2,4-dienoate; methanesulfonic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) (2E,4E)-hexa-2,4-dienoate; methanesulfonic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) (2E,4E)-hexa-2,4-dienoate; methanesulfonic acid CAS Name: (2E,4E)-hexa-2,4-dienoic acid (6-carbamimidoyl-2-naphthalenyl) ester; methanesulfonic acid IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) (2E,4E)-hexa-2,4-dienoate; methanesulfonic acid Traditional Name: (2E,4E)-hexa-2,4-dienoic acid (6-amidino-2-naphthyl) ester; mesylic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(=N)N.CS(=O)(=O)O

Isomeric SMILES

C/C=C/C=C/C(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(=N)N.CS(=O)(=O)O

InChI

InChI=1S/C17H16N2O2.CH4O3S/c1-2-3-4-5-16(20)21-15-9-8-12-10-14(17(18)19)7-6-13(12)11-15;1-5(2,3)4/h2-11H,1H3,(H3,18,19);1H3,(H,2,3,4)/b3-2+,5-4+;