2,2-bis[(4-aminophenyl)carbonyl]-16-methyl-heptadecanoic acid; oxidanylidenetitanium; propan-2-ol

Systemtic Name: 2,2-bis[(4-aminophenyl)carbonyl]-16-methyl-heptadecanoic acid; oxidanylidenetitanium; propan-2-ol Openeye Name: 2,2-bis(4-aminobenzoyl)-16-methyl-heptadecanoic acid; oxotitanium; propan-2-ol CAS Name: 2,2-bis[(4-aminophenyl)-oxomethyl]-16-methylheptadecanoic acid; oxotitanium; 2-propanol IUPAC Name: 2,2-bis(4-aminobenzoyl)-16-methylheptadecanoic acid; oxotitanium; propan-2-ol Traditional Name: 2,2-bis(4-aminobenzoyl)-16-methyl-heptadecanoic acid; ketotitanium; propan-2-ol Formula: C35H54N2O6Ti MolecularWeight: 646.68006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCC(C(=O)C1=CC=C(C=C1)N)(C(=O)C2=CC=C(C=C2)N)C(=O)O.CC(C)O.O=[Ti]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCC(C(=O)C1=CC=C(C=C1)N)(C(=O)C2=CC=C(C=C2)N)C(=O)O.CC(C)O.O=[Ti]

InChI

InChI=1S/C32H46N2O4.C3H8O.O.Ti/c1-24(2)14-12-10-8-6-4-3-5-7-9-11-13-23-32(31(37)38,29(35)25-15-19-27(33)20-16-25)30(36)26-17-21-28(34)22-18-26;1-3(2)4;;/h15-22,24H,3-14,23,33-34H2,1-2H3,(H,37,38);3-4H,1-2H3;;