2-[(E)-[(3E)-2-methylidene-3-(naphthalen-2-ylmethylidene)cycloheptylidene]methyl]naphthalene hydrate

Systemtic Name: 2-[(E)-[(3E)-2-methylidene-3-(naphthalen-2-ylmethylidene)cycloheptylidene]methyl]naphthalene hydrate Openeye Name: 2-[(E)-[(3E)-2-methylene-3-(2-naphthylmethylene)cycloheptylidene]methyl]naphthalene hydrate CAS Name: 2-[(E)-[(3E)-2-methylene-3-(2-naphthalenylmethylidene)cycloheptylidene]methyl]naphthalene hydrate IUPAC Name: 2-[(E)-[(3E)-2-methylidene-3-(naphthalen-2-ylmethylidene)cycloheptylidene]methyl]naphthalene hydrate Traditional Name: 2-[(E)-[(3E)-2-methylene-3-(2-naphthylmethylene)cycloheptylidene]methyl]naphthalene hydrate Formula: C30H28O MolecularWeight: 404.54272

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(=CC2=CC3=CC=CC=C3C=C2)CCCCC1=CC4=CC5=CC=CC=C5C=C4.O

Isomeric SMILES

C=C\1/C(=C/C2=CC3=CC=CC=C3C=C2)/CCCC/C1=C\C4=CC5=CC=CC=C5C=C4.O

InChI

InChI=1S/C30H26.H2O/c1-22-27(18-23-14-16-25-8-2-6-12-29(25)20-23)10-4-5-11-28(22)19-24-15-17-26-9-3-7-13-30(26)21-24;/h2-3,6-9,12-21H,1,4-5,10-11H2;1H2/b27-18+,28-19+;