sodium 3-[(2E)-2-[(E)-4-[1,3-dibutyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]but-2-enylidene]-3H-indol-1-yl]propane-1-sulfonate

Systemtic Name: sodium 3-[(2E)-2-[(E)-4-[1,3-dibutyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]but-2-enylidene]-3H-indol-1-yl]propane-1-sulfonate Openeye Name: sodium 3-[(2E)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)but-2-enylidene]indolin-1-yl]propane-1-sulfonate CAS Name: sodium 3-[(2E)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]-3H-indol-1-yl]-1-propanesulfonate IUPAC Name: sodium 3-[(2E)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]-3H-indol-1-yl]propane-1-sulfonate Traditional Name: sodium 3-[(2E)-2-[(E)-4-(1,3-dibutyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)but-2-enylidene]indolin-1-yl]propane-1-sulfonate Formula: C27H34N3NaO5S2 MolecularWeight: 567.69573

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC=CC=C2CC3=CC=CC=C3N2CCCS(=O)(=O)[O-])C(=O)N(C1=S)CCCC.[Na+]

Isomeric SMILES

CCCCN1C(=O)C(=C/C=C/C=C/2\CC3=CC=CC=C3N2CCCS(=O)(=O)[O-])C(=O)N(C1=S)CCCC.[Na+]

InChI

InChI=1S/C27H35N3O5S2.Na/c1-3-5-16-29-25(31)23(26(32)30(27(29)36)17-6-4-2)14-9-8-13-22-20-21-12-7-10-15-24(21)28(22)18-11-19-37(33,34)35;/h7-10,12-15H,3-6,11,16-20H2,1-2H3,(H,33,34,35);/q;+1/p-1/b9-8+,22-13+;