8-[2-[(4-carboxycyclohexyl)amino]-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonate; triethylazanium

Systemtic Name: 8-[2-[(4-carboxycyclohexyl)amino]-2-oxidanylidene-ethoxy]pyrene-1,3,6-trisulfonate; triethylazanium Openeye Name: 8-[2-[(4-carboxycyclohexyl)amino]-2-oxo-ethoxy]pyrene-1,3,6-trisulfonate; triethylammonium CAS Name: 8-[2-[(4-carboxycyclohexyl)amino]-2-oxoethoxy]pyrene-1,3,6-trisulfonate; triethylammonium IUPAC Name: 8-[2-[(4-carboxycyclohexyl)amino]-2-oxoethoxy]pyrene-1,3,6-trisulfonate; triethylazanium Traditional Name: 8-[2-[(4-carboxycyclohexyl)amino]-2-keto-ethoxy]pyrene-1,3,6-trisulfonate; triethylammonium Formula: C31H36N2O13S3-2 MolecularWeight: 740.81814

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.C1CC(CCC1C(=O)O)NC(=O)COC2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC.C1CC(CCC1C(=O)O)NC(=O)COC2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C25H23NO13S3.C6H15N/c27-22(26-13-3-1-12(2-4-13)25(28)29)11-39-18-9-19(40(30,31)32)15-7-8-17-21(42(36,37)38)10-20(41(33,34)35)16-6-5-14(18)23(15)24(16)17;1-4-7(5-2)6-3/h5-10,12-13H,1-4,11H2,(H,26,27)(H,28,29)(H,30,31,32)(H,33,34,35)(H,36,37,38);4-6H2,1-3H3/p-2