[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-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)-propan-2-yl-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]-isopropyl-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)-propan-2-ylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-propan-2-ylazanium; (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]-isopropyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C28H33NO5 MolecularWeight: 463.56532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO.C4H4O4/c1-17(2)25(15-18-8-4-3-5-9-18)16-23(26)24-21-12-6-10-19(21)14-20-11-7-13-22(20)24;5-3(6)1-2-4(7)8/h3-5,8-9,14,17H,6-7,10-13,15-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-