disodium 2-azanyl-3-[6-methoxy-1-(4-nonylphenyl)-6-oxidanylidene-hexyl]sulfanyl-propanoate

Systemtic Name: disodium 2-azanyl-3-[6-methoxy-1-(4-nonylphenyl)-6-oxidanylidene-hexyl]sulfanyl-propanoate Openeye Name: disodium 2-amino-3-[6-methoxy-1-(4-nonylphenyl)-6-oxo-hexyl]sulfanyl-propanoate CAS Name: disodium 2-amino-3-[[6-methoxy-1-(4-nonylphenyl)-6-oxohexyl]thio]propanoate IUPAC Name: disodium 2-amino-3-[6-methoxy-1-(4-nonylphenyl)-6-oxohexyl]sulfanylpropanoate Traditional Name: disodium 2-amino-3-[[6-keto-6-methoxy-1-(4-nonylphenyl)hexyl]thio]propionate Formula: C50H80N2Na2O8S2 MolecularWeight: 947.28834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)OC)SCC(C(=O)[O-])N.CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)OC)SCC(C(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)OC)SCC(C(=O)[O-])N.CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)OC)SCC(C(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/2C25H41NO4S.2Na/c2*1-3-4-5-6-7-8-9-12-20-15-17-21(18-16-20)23(31-19-22(26)25(28)29)13-10-11-14-24(27)30-2;;/h2*15-18,22-23H,3-14,19,26H2,1-2H3,(H,28,29);;/q;;2*+1/p-2