[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxidanylidene-ethyl]-(phenylmethyl)-prop-2-ynyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxidanylidene-ethyl]-(phenylmethyl)-prop-2-ynyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxo-ethyl]-prop-2-ynyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-(phenylmethyl)-prop-2-ynylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-prop-2-ynylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-keto-ethyl]-propargyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C28H29NO5 MolecularWeight: 459.53356

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[NH+](CC1=CC=CC=C1)CC(=O)C2=C3CCCC3=CC4=C2CCC4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C#CC[NH+](CC1=CC=CC=C1)CC(=O)C2=C3CCCC3=CC4=C2CCC4.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C24H25NO.C4H4O4/c1-2-14-25(16-18-8-4-3-5-9-18)17-23(26)24-21-12-6-10-19(21)15-20-11-7-13-22(20)24;5-3(6)1-2-4(7)8/h1,3-5,8-9,15H,6-7,10-14,16-17H2;1-2H,(H,5,6)(H,7,8)/b;2-1-