sodium 4-[6-[(E,3E)-3-[(3E)-3-[(E)-3-[1-(carboxymethyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-enylidene]-2-oxidanylidene-cyclopentylidene]prop-1-enyl]-3,4-dihydro-2H-quinolin-1-yl]butane-1-sulfonate

Systemtic Name: sodium 4-[6-[(E,3E)-3-[(3E)-3-[(E)-3-[1-(carboxymethyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-enylidene]-2-oxidanylidene-cyclopentylidene]prop-1-enyl]-3,4-dihydro-2H-quinolin-1-yl]butane-1-sulfonate Openeye Name: sodium 4-[6-[(E,3E)-3-[(3E)-3-[(E)-3-[1-(carboxymethyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-enylidene]-2-oxo-cyclopentylidene]prop-1-enyl]-3,4-dihydro-2H-quinolin-1-yl]butane-1-sulfonate CAS Name: sodium 4-[6-[(E,3E)-3-[(3E)-3-[(E)-3-[1-(carboxymethyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-enylidene]-2-oxocyclopentylidene]prop-1-enyl]-3,4-dihydro-2H-quinolin-1-yl]-1-butanesulfonate IUPAC Name: sodium 4-[6-[(E,3E)-3-[(3E)-3-[(E)-3-[1-(carboxymethyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-enylidene]-2-oxocyclopentylidene]prop-1-enyl]-3,4-dihydro-2H-quinolin-1-yl]butane-1-sulfonate Traditional Name: sodium 4-[6-[(E,3E)-3-[(3E)-3-[(E)-3-[1-(carboxymethyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-enylidene]-2-keto-cyclopentylidene]prop-1-enyl]-3,4-dihydro-2H-quinolin-1-yl]butane-1-sulfonate Formula: C35H39N2NaO6S MolecularWeight: 638.74873

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C=CC=C3CCC(=CC=CC4=CC5=C(C=C4)N(CCC5)CC(=O)O)C3=O)N(C1)CCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CC2=C(C=CC(=C2)/C=C/C=C/3\CC/C(=C\C=C\C4=CC5=C(C=C4)N(CCC5)CC(=O)O)/C3=O)N(C1)CCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C35H40N2O6S.Na/c38-34(39)25-37-21-6-12-31-24-27(14-18-33(31)37)8-4-10-29-16-15-28(35(29)40)9-3-7-26-13-17-32-30(23-26)11-5-20-36(32)19-1-2-22-44(41,42)43;/h3-4,7-10,13-14,17-18,23-24H,1-2,5-6,11-12,15-16,19-22,25H2,(H,38,39)(H,41,42,43);/q;+1/p-1/b7-3+,8-4+,28-9+,29-10+;