sodium [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 2-(dimethylamino)ethanoate

Systemtic Name: sodium [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 2-(dimethylamino)ethanoate Openeye Name: sodium [2-methyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] 2-(dimethylamino)acetate CAS Name: sodium 2-(dimethylamino)acetic acid [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: sodium [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 2-(dimethylamino)acetate Traditional Name: sodium 2-(dimethylamino)acetic acid [2-methyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] ester Formula: C30H51NNaO3+ MolecularWeight: 496.72061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OC(=O)CN(C)C)C.[Na+]

Isomeric SMILES

CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OC(=O)CN(C)C)C.[Na+]

InChI

InChI=1S/C30H51NO3.Na/c1-23(2)11-8-12-24(3)13-9-14-25(4)15-10-19-30(5)20-18-26-21-27(16-17-28(26)34-30)33-29(32)22-31(6)7;/h16-17,21,23-25H,8-15,18-20,22H2,1-7H3;/q;+1