7-[(E)-but-2-enyl]-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate

Systemtic Name: 7-[(E)-but-2-enyl]-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Openeye Name: 7-[(E)-but-2-enyl]-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate CAS Name: 7-[(E)-but-2-enyl]-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate IUPAC Name: 7-[(E)-but-2-enyl]-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Traditional Name: 7-[(E)-but-2-enyl]-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Formula: C22H21ClO6 MolecularWeight: 416.85154

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC1=C2CCC3=C(C2=[O+]C4=CC=CC=C41)C=CC(=C3)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C/C=C/CC1=C2CCC3=C(C2=[O+]C4=CC=CC=C41)C=CC(=C3)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H21O2.ClHO4/c1-3-4-7-18-19-8-5-6-9-21(19)24-22-17-13-11-16(23-2)14-15(17)10-12-20(18)22;2-1(3,4)5/h3-6,8-9,11,13-14H,7,10,12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1/b4-3+;