1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate; [(1R)-1-cyclohexylethyl]azanium

Systemtic Name: 1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate; [(1R)-1-cyclohexylethyl]azanium Openeye Name: 1-(2-carboxylato-1-naphthyl)naphthalene-2-carboxylate; [(1R)-1-cyclohexylethyl]ammonium CAS Name: 1-(2-carboxylato-1-naphthalenyl)-2-naphthalenecarboxylate; [(1R)-1-cyclohexylethyl]ammonium IUPAC Name: 1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate; [(1R)-1-cyclohexylethyl]azanium Traditional Name: 1-(2-carboxylato-1-naphthyl)-2-naphthoate; [(1R)-1-cyclohexylethyl]ammonium Formula: C38H48N2O4 MolecularWeight: 596.79872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)[NH3+].CC(C1CCCCC1)[NH3+].C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[C@H](C1CCCCC1)[NH3+].C[C@H](C1CCCCC1)[NH3+].C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H14O4.2C8H17N/c23-21(24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22(25)26;2*1-7(9)8-5-3-2-4-6-8/h1-12H,(H,23,24)(H,25,26);2*7-8H,2-6,9H2,1H3/t;2*7-/m.11/s1