bis(carboxymethyl)-[2-(carboxymethylamino)ethyl]-[2-[carboxymethyl-[2-[(4-hexylphenyl)amino]-2-oxidanylidene-ethyl]amino]ethyl]azanium

Systemtic Name: bis(carboxymethyl)-[2-(carboxymethylamino)ethyl]-[2-[carboxymethyl-[2-[(4-hexylphenyl)amino]-2-oxidanylidene-ethyl]amino]ethyl]azanium Openeye Name: bis(carboxymethyl)-[2-(carboxymethylamino)ethyl]-[2-[carboxymethyl-[2-(4-hexylanilino)-2-oxo-ethyl]amino]ethyl]ammonium CAS Name: bis(carboxymethyl)-[2-(carboxymethylamino)ethyl]-[2-[carboxymethyl-[2-(4-hexylanilino)-2-oxoethyl]amino]ethyl]ammonium IUPAC Name: bis(carboxymethyl)-[2-(carboxymethylamino)ethyl]-[2-[carboxymethyl-[2-(4-hexylanilino)-2-oxoethyl]amino]ethyl]azanium Traditional Name: bis(carboxymethyl)-[2-(carboxymethylamino)ethyl]-[2-[carboxymethyl-[2-(4-hexylanilino)-2-keto-ethyl]amino]ethyl]ammonium Formula: C26H41N4O9+ MolecularWeight: 553.62514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC(=O)CN(CC[N+](CCNCC(=O)O)(CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC(=O)CN(CC[N+](CCNCC(=O)O)(CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C26H40N4O9/c1-2-3-4-5-6-20-7-9-21(10-8-20)28-22(31)16-29(17-24(34)35)12-14-30(18-25(36)37,19-26(38)39)13-11-27-15-23(32)33/h7-10,27H,2-6,11-19H2,1H3,(H4-,28,31,32,33,34,35,36,37,38,39)/p+1