sodium 3-[(3R,4S,5S,7R)-7-[(3S,5S)-5-ethyl-5-[(5R,6S)-5-ethyl-6-methyl-5-oxidanyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-nonyl]-6-methyl-2,4-dinitro-phenolate

Systemtic Name: sodium 3-[(3R,4S,5S,7R)-7-[(3S,5S)-5-ethyl-5-[(5R,6S)-5-ethyl-6-methyl-5-oxidanyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-nonyl]-6-methyl-2,4-dinitro-phenolate Openeye Name: sodium 3-[(3R,4S,5S,7R)-7-[(3S,5S)-5-ethyl-5-[(5R,6S)-5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxo-nonyl]-6-methyl-2,4-dinitro-phenolate CAS Name: sodium 3-[(3R,4S,5S,7R)-7-[(3S,5S)-5-ethyl-5-[(5R,6S)-5-ethyl-5-hydroxy-6-methyl-2-oxanyl]-3-methyl-2-oxolanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-6-methyl-2,4-dinitrophenolate IUPAC Name: sodium 3-[(3R,4S,5S,7R)-7-[(3S,5S)-5-ethyl-5-[(5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-6-methyl-2,4-dinitrophenolate Traditional Name: sodium 3-[(3R,4S,5S,7R)-7-[(3S,5S)-5-ethyl-5-[(5R,6S)-5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-4-hydroxy-6-keto-3,5-dimethyl-nonyl]-6-methyl-2,4-dinitro-phenolate Formula: C33H51N2NaO10 MolecularWeight: 658.75521

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(CC(O1)(CC)C2CCC(C(O2)C)(CC)O)C)C(=O)C(C)C(C(C)CCC3=C(C=C(C(=C3[N+](=O)[O-])[O-])C)[N+](=O)[O-])O.[Na+]

Isomeric SMILES

CC[C@H](C1[C@H](C[C@@](O1)(CC)C2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCC3=C(C=C(C(=C3[N+](=O)[O-])[O-])C)[N+](=O)[O-])O.[Na+]

InChI

InChI=1S/C33H52N2O10.Na/c1-9-23(31-20(6)17-33(11-3,45-31)26-14-15-32(39,10-2)22(8)44-26)30(38)21(7)28(36)18(4)12-13-24-25(34(40)41)16-19(5)29(37)27(24)35(42)43;/h16,18,20-23,26,28,31,36-37,39H,9-15,17H2,1-8H3;/q;+1/p-1/t18-,20+,21+,22+,23+,26?,28+,31?,32-,33+;/m1./s1