[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 2-azanylbenzoate; naphthalene-1,5-disulfonic acid

Systemtic Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 2-azanylbenzoate; naphthalene-1,5-disulfonic acid Openeye Name: [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] 2-aminobenzoate; naphthalene-1,5-disulfonic acid CAS Name: 2-aminobenzoic acid [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] ester; naphthalene-1,5-disulfonic acid IUPAC Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] 2-aminobenzoate; naphthalene-1,5-disulfonic acid Traditional Name: 2-aminobenzoic acid [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] ester; naphthalene-1,5-disulfonic acid Formula: C31H36N2O9S2 MolecularWeight: 644.75554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)C2=CC=CC=C2N)C(C)C)OCCN(C)C.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)C2=CC=CC=C2N)C(C)C)OCCN(C)C.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C21H28N2O3.C10H8O6S2/c1-14(2)17-13-19(15(3)12-20(17)25-11-10-23(4)5)26-21(24)16-8-6-7-9-18(16)22;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h6-9,12-14H,10-11,22H2,1-5H3;1-6H,(H,11,12,13)(H,14,15,16)